Summary
SMILES: COc1c(cc(c2c1C=CC(O2)(C)C)OC)C(=O)/C=C(/c1ccc2c(c1)OCO2)OInChI: InChI=1S/C23H22O7/c1-23(2)8-7-14-21(27-4)15(10-20(26-3)22(14)30-23)17(25)11-16(24)13-5-6-18-19(9-13)29-12-28-18/h5-11,24H,12H2,1-4H3/b16-11-InChIKey: BHXMKOWAHQATKJ-WJDWOHSUSA-N
DeepSMILES: COcccccc6C=CCO6)C)C))))))OC))))C=O)/C=C/cccccc6)OCO5))))))))O
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccc2c(c1)OCO2)c1ccc2c(c1)C=CCO2
Scaffold Graph/Node level: OC(CCC1CCC2OCOC2C1)C1CCC2OCCCC2C1
Scaffold Graph level: CC(CCC1CCC2CCCC2C1)C1CCC2CCCCC2C1
Functional groups: c1cOCO1; cC(=O)/C=C(/c)O; cC=CC; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Chalcones
Synonymous chemical names:ponganone ii
External chemical identifiers:CID:10319368; ZINC:ZINC000137055721
Chemical structure download