1-Amino-9,11-tridecadien-2-one; (E,E)-form, N-Ac
AlkaPlorer ID: AK287598
Synonym: 1-(Acetylamino)-9,11-tridecadien-2-one, Clonoamide
IUPAC Name: N-[(9E,11E)-2-oxotrideca-9,11-dienyl]acetamide
Structure
SMILES: C/C=C/C=C/CCCCCCC(=O)CN=C(C)O
InChI: InChI=1S/C15H25NO2/c1-3-4-5-6-7-8-9-10-11-12-15(18)13-16-14(2)17/h3-6H,7-13H2,1-2H3,(H,16,17)/b4-3+,6-5+
InChIKey: HVQRHJSURJCJCC-VNKDHWASSA-N
Reference
Clonoamide, a new inhibitor of sterol O-acyltransferase, produced by Clonostachys sp. BF-0131
PubChem CID: 122372539
CAS: 1822365-47-8
LOTUS: LTS0250250
{NPAtlas: NPA000149
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clonostachys sp. | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 251.37
TPSA？: 49.66
MolLogP？: 4.004800000000003
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 1 | IC50 | 39000.0 | nM | 10.1021/acs.jmedchem.2c01265 |
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 2 | IC50 | 110000.0 | nM | 10.1021/acs.jmedchem.2c01265 |