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Corynechromone K ID: ALA3426567
Chembl Id: CHEMBL3426567
PubChem CID: 118737288
Max Phase: Preclinical
Molecular Formula: C14H14O5
Molecular Weight: 262.26
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCOC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12
Standard InChI: InChI=1S/C14H14O5/c1-3-18-13(17)6-9-5-10(15)7-12-14(9)11(16)4-8(2)19-12/h4-5,7,15H,3,6H2,1-2H3
Standard InChI Key: JDAQOUFMQLRUAS-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: 262.26Molecular Weight (Monoisotopic): 262.0841AlogP: 1.91#Rotatable Bonds: 3Polar 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: 1.71CX LogD: 0.73Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.85Np Likeness Score: 1.22
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 ]
