The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
Appenolide B ID: ALA491579
Chembl Id: CHEMBL491579
Cas Number: 148077-11-6
PubChem CID: 6436280
Max Phase: Preclinical
Molecular Formula: C14H22O3
Molecular Weight: 238.33
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC1=C(/C=C/CCCCCC(C)O)COC1=O
Standard InChI: InChI=1S/C14H22O3/c1-11(15)8-6-4-3-5-7-9-13-10-17-14(16)12(13)2/h7,9,11,15H,3-6,8,10H2,1-2H3/b9-7+
Standard InChI Key: XJNVZUVIGOZMFT-VQHVLOKHSA-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: 238.33Molecular Weight (Monoisotopic): 238.1569AlogP: 2.75#Rotatable Bonds: 7Polar Surface Area: 46.53Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 13.47CX Basic pKa: ┄CX LogP: 2.91CX LogD: 2.91Aromatic Rings: ┄Heavy Atoms: 17QED Weighted: 0.55Np Likeness Score: 2.35
References 1. Wang Y, Gloer JB, Scott JA, Malloch D.. (1993) Appenolides A-C: three new antifungal furanones from the coprophilous fungus Podospora appendiculata., 56 (3): [PMID:8482945 ] [10.1021/np50093a005 ]