10-Ketone piericidin A
AlkaPlorer ID: AK039845
Synonym: None
IUPAC Name: 2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,9R,11E)-3,7,9,11-tetramethyl-10-oxotrideca-2,5,7,11-tetraenyl]-1H-pyridin-4-one
Structure
SMILES: C/C=C(\C)C(=O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/CC1=C(C)C(=O)C(OC)=C(OC)N1
InChI: InChI=1S/C25H35NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-/m1/s1
InChIKey: OSVHOYYZVAEGDX-VISRUDLRSA-N
Reference
The characterization of populations of Eucalyptus camaldulensis by chemical features
PubChem CID: 16086823
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 413.55800000000016
TPSA？: 68.39000000000001
MolLogP？: 5.253320000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | IC50 | 100000.0 | nM | 10.1021/acs.jmedchem.9b00598 |
| Homo sapiens | ACHN | IC50 | 100000.0 | nM | 10.1021/acs.jmedchem.9b00598 |
| Homo sapiens | HK-2 | IC50 | nan | None | 10.1021/acs.jmedchem.9b00598 |
| Homo sapiens | LXR-alpha | Kd | 7220.0 | nM | 10.1021/acs.jmedchem.1c00175 |
| Homo sapiens | OS-RC-2 | IC50 | 22000.0 | nM | 10.1021/acs.jmedchem.9b00598 |