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.
Corynechromone B ID: ALA3426558
Chembl Id: CHEMBL3426558
PubChem CID: 101911794
Max Phase: Preclinical
Molecular Formula: C16H20O6
Molecular Weight: 308.33
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCOC(=O)Cc1cc(O)cc2c1C(=O)C[C@H](C[C@H](C)O)O2
Standard InChI: InChI=1S/C16H20O6/c1-3-21-15(20)6-10-5-11(18)7-14-16(10)13(19)8-12(22-14)4-9(2)17/h5,7,9,12,17-18H,3-4,6,8H2,1-2H3/t9-,12-/m0/s1
Standard InChI Key: JQJYOBPTCQJBLG-CABZTGNLSA-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: 308.33Molecular Weight (Monoisotopic): 308.1260AlogP: 1.60#Rotatable Bonds: 5Polar Surface Area: 93.06Molecular Species: NEUTRALHBA: 6HBD: 2#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: 7.73CX Basic pKa: CX LogP: 0.99CX LogD: 0.83Aromatic Rings: 1Heavy Atoms: 22QED Weighted: 0.80Np Likeness Score: 1.61
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 ]
