Destruxins; Destruxin B
AlkaPlorer ID: AK294942
Synonym: None
IUPAC Name: 16-butan-2-yl-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CCC(C)C1N=C(O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChI: InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)
InChIKey: GNBHVMBELHWUIF-UHFFFAOYSA-N
Reference
Dihydrodestruxin a: A natural destruxin from Metarhizium anisopliae
PubChem CID: 428373
CAS: 2503-26-6
LOTUS: LTS0079247
COCONUT: CNP0213662.9
Source
Properties Information
Molecule Weight: 593.7660000000002
TPSA？: 152.41000000000005
MolLogP？: 2.9966000000000035
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 25000.0 | nM | None |
| Chlorocebus sabaeus | Vero | IC50 | 8210.0 | nM | None |
| Homo sapiens | 786-0 | GI50 | 2089.3 | nM | None |
| Homo sapiens | A498 | GI50 | 23878.11 | nM | None |
| Homo sapiens | A549 | GI50 | 4819.48 | nM | None |
| Homo sapiens | ACHN | GI50 | 4581.42 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 5972.8 | nM | None |
| Homo sapiens | BT-549 | GI50 | 26121.61 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 6950.24 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 736.21 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 3605.79 | nM | None |
| Homo sapiens | DU-145 | GI50 | 4045.76 | nM | None |
| Homo sapiens | EKVX | GI50 | 10162.49 | nM | None |
| Homo sapiens | Geminin | Potency | 10322.5 | nM | None |
| Homo sapiens | Geminin | Potency | 11582.1 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 8912.5 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 1412.5 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 2133.04 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 2202.93 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 4570.88 | nM | None |
| Homo sapiens | HEK293 | Potency | 3162.3 | nM | None |
| Homo sapiens | HepG2 | Potency | 7079.5 | nM | None |
| Homo sapiens | HL-60 | GI50 | 592.93 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 2773.32 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 17864.88 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 23173.95 | nM | None |
| Homo sapiens | HT-29 | GI50 | 1315.22 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 5834.45 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 18356.4 | nM | None |
| Homo sapiens | K562 | GI50 | 3162.28 | nM | None |
| Homo sapiens | KM12 | GI50 | 3435.58 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 1111.73 | nM | None |
| Homo sapiens | M14 | GI50 | 1905.46 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 6546.36 | nM | None |
| Homo sapiens | MCF7 | GI50 | 2642.41 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 6237.35 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 2426.61 | nM | None |
| Homo sapiens | MDA-N | GI50 | 2612.16 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 1832.31 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 16069.41 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 21527.82 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 9840.11 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 10471.29 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 1185.77 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 6053.41 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 5173.5 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 6698.85 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 50699.07 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 4830.59 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 3483.37 | nM | None |
| Homo sapiens | PC-3 | GI50 | 1790.61 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 1285.29 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 3828.25 | nM | None |
| Homo sapiens | SF-268 | GI50 | 5997.91 | nM | None |
| Homo sapiens | SF-295 | GI50 | 2500.35 | nM | None |
| Homo sapiens | SF-539 | GI50 | 7095.78 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 2421.03 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 36057.86 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 1213.39 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 20558.91 | nM | None |
| Homo sapiens | SN12C | GI50 | 6839.12 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 48977.88 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 15452.54 | nM | None |
| Homo sapiens | SR | GI50 | 765.6 | nM | None |
| Homo sapiens | SW-620 | GI50 | 3732.5 | nM | None |
| Homo sapiens | T47D | GI50 | 4677.35 | nM | None |
| Homo sapiens | TK-10 | GI50 | 23173.95 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 3264.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 4109.5 | nM | None |
| Homo sapiens | U-251 | GI50 | 10327.61 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 6324.12 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 2208.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 6839.12 | nM | None |
| Homo sapiens | Urokinase-type plasminogen activator | Potency | 3689.8 | nM | None |
| None | Unchecked | Potency | 1412.5 | nM | None |
| None | Unchecked | Potency | 1995.3 | nM | None |
| None | Unchecked | Potency | 2238.7 | nM | None |
| None | Unchecked | Potency | 3689.8 | nM | None |
| None | Unchecked | Potency | 4466.8 | nM | None |
| None | Unchecked | Potency | 4645.1 | nM | None |
| None | Unchecked | Potency | 8199.5 | nM | None |
| None | Unchecked | Potency | 23109.3 | nM | None |