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1,3-O-diacetyl 5-[8'(Z)-pentadecenyl]resorcinol ID: ALA480680
Chembl Id: CHEMBL480680
PubChem CID: 14213572
Max Phase: Preclinical
Molecular Formula: C25H38O4
Molecular Weight: 402.58
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCC/C=C\CCCCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1
Standard InChI: InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-24(28-21(2)26)20-25(19-23)29-22(3)27/h9-10,18-20H,4-8,11-17H2,1-3H3/b10-9-
Standard InChI Key: INXVEWVKDXNWCX-KTKRTIGZSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 402.58Molecular Weight (Monoisotopic): 402.2770AlogP: 6.95#Rotatable Bonds: 15Polar Surface Area: 52.60Molecular Species: NEUTRALHBA: 4HBD: ┄#RO5 Violations: 1HBA (Lipinski): 4HBD (Lipinski): ┄#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 7.56CX LogD: 7.56Aromatic Rings: 1Heavy Atoms: 29QED Weighted: 0.14Np Likeness Score: 0.63
References 1. Lee JS, Cho YS, Park EJ, Kim J, Oh WK, Lee HS, Ahn JS.. (1998) Phospholipase Cgamma1 inhibitory principles from the sarcotestas of Ginkgo biloba., 61 (7): [PMID:9677265 ] [10.1021/np970367q ]