Summary
SMILES: O=C1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2InChI: InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1InChIKey: DDWGQGZPYDSYEL-LSDHHAIUSA-N
DeepSMILES: O=COC[C@@H][C@H]5Ccccccc6)OCO5))))))))))Ccccccc6)OCO5
Scaffold Graph/Node/Bond level: O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2
Scaffold Graph/Node level: OC1OCC(CC2CCC3OCOC3C2)C1CC1CCC2OCOC2C1
Scaffold Graph level: CC1CCC(CC2CCC3CCCC3C2)C1CC1CCC2CCCC2C1
Functional groups: COC(C)=O; c1cOCO1
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Furanoid lignans
ClassyFire Subclass: Tetrahydrofuran lignans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Dibenzylbutyrolactone lignans
Synonymous chemical names:(+-)-hinokinin, (-) hinokinin, (-)-hinokinin, (-)hinokinin, hinkokinin, hinokinin
External chemical identifiers:CID:442879; ChEMBL:CHEMBL242011; ChEBI:5722; ZINC:ZINC000001872258; SureChEMBL:SCHEMBL1121862; MolPort-039-338-821
Chemical structure download