12-(4-Aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxo-2,4-dodecadienoic acid
AlkaPlorer ID: AK287160
Synonym: None
IUPAC Name: (2E,4E)-12-(4-aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxododeca-2,4-dienoic acid
Structure
SMILES: CC(O)C(/C=C/C=C/C(=O)O)C(C)CC(C)C(O)CC(=O)C1=CC=C(N)C=C1
InChI: InChI=1S/C22H31NO5/c1-14(19(16(3)24)6-4-5-7-22(27)28)12-15(2)20(25)13-21(26)17-8-10-18(23)11-9-17/h4-11,14-16,19-20,24-25H,12-13,23H2,1-3H3,(H,27,28)/b6-4+,7-5+
InChIKey: KCSUEQGOSJTUAZ-YDFGWWAZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kandelia candel | Kandelia | Rhizophoraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 389.4920000000001
TPSA？: 120.85
MolLogP？: 3.0588000000000006
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | None | None | 10.1021/np0500777 |
| Homo sapiens | K562 | Activity | None | None | 10.1021/np0500777 |
| Mus musculus | L929 | Activity | None | None | 10.1021/np0500777 |
| None | Unchecked | Activity | None | None | 10.1021/np0500777 |