Lavendustin C
AlkaPlorer ID: AK043168
Synonym: None
IUPAC Name: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid
Structure
SMILES: O=C(O)C1=CC(NCC2=CC(O)=CC=C2O)=CC=C1O
InChI: InChI=1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)
InChIKey: LULATDWLDJOKCX-UHFFFAOYSA-N
Reference
Four New Diarylheptanoids from the Roots of Juglans mandshurica
PubChem CID: 3896
CAS: 125697-93-0
LOTUS: LTS0195252
NPASS: NPC471778
COCONUT: CNP0192505
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 275.26000000000005
TPSA？: 110.02
MolLogP？: 2.1137
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 56234.1 | nM | None |
| Dengue virus | Dengue virus | Activity | nan | None | 10.1073/pnas.0611681104 |
| Homo sapiens | 3-phosphoinositide dependent protein kinase-1 | Thermal melting change | 0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | 786-0 | GI50 | 45289.76 | nM | None |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 15848.9 | nM | None |
| Homo sapiens | AMP-activated protein kinase, alpha-2 subunit | Thermal melting change | -0.8 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | BT-549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CaM kinase I delta | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM kinase I gamma | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM kinase II alpha | Thermal melting change | 0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM kinase II beta | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM kinase II delta | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM kinase II gamma | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM kinase IV | Thermal melting change | 0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM-kinase kinase beta | IC50 | 200.0 | nM | 10.1073/pnas.0708800104 |
| Homo sapiens | CaM-kinase kinase beta | Thermal melting change | 0.8 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | cAMP-dependent protein kinase alpha-catalytic subunit | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Casein kinase I gamma 1 | Thermal melting change | 0.6 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Casein kinase I gamma 2 | Thermal melting change | 0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Casein kinase I isoform gamma-3 | Thermal melting change | 0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | CCRF-CEM | GI50 | 10641.43 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 10000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Cyclin-dependent kinase 2 | Thermal melting change | 0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Cyclin-dependent kinase 6 | Thermal melting change | -0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Cyclin-dependent kinase-like 1 | Thermal melting change | -0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Death-associated protein kinase 3 | Thermal melting change | -0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | DNA polymerase iota | Potency | 17782.8 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 50118.7 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | Thermal melting change | 0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 6 | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Dual specificity protein kinase CLK2 | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Dual specificity protein kinase CLK3 | Thermal melting change | 0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Dual specificty protein kinase CLK1 | Thermal melting change | 0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 30.0 | nM | 10.1021/jm00032a020 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 150.0 | nM | 10.1021/jm00032a020 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 2900.0 | nM | 10.1021/jm00050a005 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 4000.0 | nM | 10.1016/S0960-894X(97)00014-0 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 92000.0 | nM | 10.1021/jm00032a020 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | 92000.0 | nM | 10.1021/jm00077a014 |
| Homo sapiens | Flap endonuclease 1 | Potency | 8912.5 | nM | None |
| Homo sapiens | Glycogen synthase kinase-3 beta | Thermal melting change | -0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | HaCaT | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2010.05.014 |
| Homo sapiens | HaCaT | IC50 | 100000.0 | nM | 10.1021/jm00050a005 |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 49888.45 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HEK293 | Inhibition | 72.4 | % | 10.1021/jm1004368 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 3548.1 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 100000.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Inactive serine/threonine-protein kinase VRK3 | Thermal melting change | 0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | KM12 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 25118.9 | nM | None |
| Homo sapiens | M14 | GI50 | 92257.14 | nM | None |
| Homo sapiens | MAP kinase ERK1 | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | MAP kinase p38 beta | Thermal melting change | 0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 26977.39 | nM | None |
| Homo sapiens | MDA-N | GI50 | 24831.33 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 31622.8 | nM | None |
| Homo sapiens | Mitogen-activated protein kinase 6 | Thermal melting change | -0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 5 | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Myotonin-protein kinase | Thermal melting change | 0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | NAD-dependent deacetylase sirtuin 2 | Inhibition | 60.0 | % | 10.1021/jm060118b |
| Homo sapiens | NADPH oxidase 4 | IC50 | 1340.0 | nM | 10.1021/jm1004368 |
| Homo sapiens | NADPH oxidase 4 | Inhibition | 82.0 | % | 10.1021/jm1004368 |
| Homo sapiens | NADPH oxidase 4 | Inhibition | 88.71 | % | 10.1021/jm1004368 |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 16218.1 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PDZ-binding kinase | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 22387.2 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 12 | Potency | 1995.3 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 50118.7 | nM | None |
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | Thermal melting change | -1.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | Thermal melting change | 0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | RXF 393 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase 10 | Thermal melting change | -0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase 16 | Thermal melting change | 0.5 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase 17A | Thermal melting change | 0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase 2 | Thermal melting change | -0.5 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase 25 | Thermal melting change | nan | None | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase 38 | Thermal melting change | -0.4 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase Chk2 | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase MST1 | Thermal melting change | -0.6 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase MST4 | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase MST4 | Thermal melting change | 0.9 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | Thermal melting change | 0.7 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase NEK6 | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase OSR1 | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PAK6 | Thermal melting change | -0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PAK7 | Thermal melting change | -0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PCTAIRE-1 | Thermal melting change | 0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PIM2 | Thermal melting change | 0.7 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PIM3 | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Thermal melting change | 0.3 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | Thermal melting change | 0.1 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase RIO2 | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase VRK1 | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Serine/threonine-protein kinase VRK2 | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 23823.19 | nM | None |
| Homo sapiens | T47D | GI50 | 35645.11 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | TRAF2- and NCK-interacting kinase | Thermal melting change | 0.0 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Tyrosine-protein kinase JAK1 | Thermal melting change | -0.2 | degrees C | 10.1073/pnas.0708800104 |
| Homo sapiens | Tyrosine-protein kinase LCK | IC50 | 10000.0 | nM | 10.1021/jm00072a022 |
| Homo sapiens | Tyrosine-protein kinase LCK | IC50 | 10000.0 | nM | 10.1021/jm00072a023 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 19952.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23109.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25929.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 67142.89 | nM | None |
| Mus musculus | Epidermal growth factor receptor erbB1 | IC50 | 0.012 | ug.mL-1 | 10.1021/np50066a009 |
| Rattus norvegicus | Protein kinase C (PKC) | IC50 | 100000.0 | nM | 10.1021/jm00032a020 |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 39810.7 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 11875.4 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 21117.7 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 23694.5 | nM | None |
| None | Unchecked | IC50 | 30.0 | nM | 10.1021/jm00077a014 |
| None | Unchecked | IC50 | 200.0 | nM | 10.1073/pnas.0708800104 |
| None | Unchecked | IC50 | 900.0 | nM | 10.1021/jm00072a022 |
| None | Unchecked | IC50 | 4000.0 | nM | 10.1021/jm00072a022 |
| None | Unchecked | IC50 | 100000.0 | nM | 10.1021/jm00032a020 |