(8E,10E,14Z)-5-methoxy-15-[(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazol-4-yl]pentadeca-8,10,14-trien-3-one
AlkaPlorer ID: AK137360
Synonym: None
IUPAC Name: (8E,10E,14Z)-5-methoxy-15-[(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazol-4-yl]pentadeca-8,10,14-trien-3-one
Structure
SMILES: CCC(=O)CC(CC/C=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC
InChI: InChI=1S/C23H35NO2S/c1-4-20(25)16-21(26-3)14-12-10-8-6-5-7-9-11-13-19-17-27-23(24-19)22-15-18(22)2/h5-6,8,10-11,13,18-19,21-22H,4,7,9,12,14-17H2,1-3H3/b6-5+,10-8+,13-11-/t18-,19+,21?,22+/m0/s1
InChIKey: AVQWMIOFPQCRNF-DKDHISSVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ophiocoma scolopendrina | Ophiocoma | Ophiocomidae | Amphilepidida | Ophiuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.6050000000001
TPSA？: 38.66
MolLogP？: 5.769500000000006
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone deacetylase 1 | Inhibition | None | % | 10.1021/acs.jnatprod.6b00701 |
| Homo sapiens | NAD-dependent deacetylase sirtuin 1 | Inhibition | None | % | 10.1021/acs.jnatprod.6b00701 |
| Mus musculus | Histone deacetylase 6 | Inhibition | None | % | 10.1021/acs.jnatprod.6b00701 |
| Mus musculus | P388 | Activity | None | None | 10.1021/acs.jnatprod.6b00701 |