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Corynechromone L ID: ALA3426568
Chembl Id: CHEMBL3426568
PubChem CID: 118737289
Max Phase: Preclinical
Molecular Formula: C16H18O5
Molecular Weight: 290.31
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc(=O)c2c(CC(=O)OCC(C)C)cc(O)cc2o1
Standard InChI: InChI=1S/C16H18O5/c1-9(2)8-20-15(19)6-11-5-12(17)7-14-16(11)13(18)4-10(3)21-14/h4-5,7,9,17H,6,8H2,1-3H3
Standard InChI Key: KBBZDBRZSVONMK-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: YesOral: 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: 290.31Molecular Weight (Monoisotopic): 290.1154AlogP: 2.55#Rotatable Bonds: 4Polar Surface Area: 76.74Molecular Species: ACIDHBA: 5HBD: 1#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 6.44CX Basic pKa: CX LogP: 2.60CX LogD: 1.62Aromatic Rings: 2Heavy Atoms: 21QED Weighted: 0.88Np Likeness Score: 1.17
References 1. Zhao DL, Shao CL, Gan LS, Wang M, Wang CY.. (2015) Chromone derivatives from a sponge-derived strain of the fungus Corynespora cassiicola., 78 (2): [PMID:25594263 ] [10.1021/np5009152 ]
