4-(2-Aminoethyl)phenol; N-(3,4-Dihydroxybenzoyl)
AlkaPlorer ID: AK023119
Synonym: N-(3,4-Dihydroxybenzoyl)tyramine, Houttuynamide A
IUPAC Name: 3,4-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
Structure
SMILES: OC(=NCCC1=CC=C(O)C=C1)C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C15H15NO4/c17-12-4-1-10(2-5-12)7-8-16-15(20)11-3-6-13(18)14(19)9-11/h1-6,9,17-19H,7-8H2,(H,16,20)
InChIKey: VGIFBSQQOUBLSS-UHFFFAOYSA-N
Reference
The Constituents and Their Bioactivities of Houttuynia cordata
PubChem CID: 44521377
LOTUS: LTS0143225
SuperNatural Ⅲ: SN0389521
NPASS: NPC284078
COCONUT: CNP0259662
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Houttuynia cordata | Houttuynia | Saururaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 273.288
TPSA？: 93.28000000000002
MolLogP？: 2.3507000000000016
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Tyrosinase | Activity | 9.0 | % | 10.1016/j.bmcl.2009.05.115 |
| Mus musculus | B16 | Activity | 88.0 | % | 10.1016/j.bmcl.2009.05.115 |
| Mus musculus | B16 | Activity | nan | None | 10.1016/j.bmcl.2009.05.115 |
| Mus musculus | B16 | IC50 | nan | None | 10.1016/j.bmcl.2009.05.115 |
| Mus musculus | BV-2 | Activity | nan | None | 10.1021/acs.jnatprod.1c00055 |
| Mus musculus | BV-2 | IC50 | 21000.0 | nM | 10.1021/acs.jnatprod.1c00055 |
| Mus musculus | Tyrosinase | Activity | 6.0 | % | 10.1016/j.bmcl.2009.05.115 |
| Mus musculus | Tyrosinase | IC50 | nan | None | 10.1016/j.bmcl.2009.05.115 |