Summary
SMILES: COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)OCInChI: InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3InChIKey: PUECEVJMPDNNHT-UHFFFAOYSA-N
DeepSMILES: COcccO)ccc6)occc6=O))cO)ccc6))OC
Scaffold Graph/Node/Bond level: O=c1c2ccccc2oc2ccccc12
Scaffold Graph/Node level: OC1C2CCCCC2OC2CCCCC21
Scaffold Graph level: CC1C2CCCCC2CC2CCCCC21
Functional groups: c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Xanthones
NP Classifier Class: Methyl xanthones|Plant xanthones
Synonymous chemical names:1,8-dihydroxy-3,7 dimethoxy-(7-o-methylswertianin) xanthone, 1,8-dihydroxy-3,7-dimethoxy-xanthone(7-o-methylswertianin), 1,8-dihydroxy-3,7-dimethoxyxanthone
External chemical identifiers:CID:5281653; ChEMBL:CHEMBL3704820; ChEBI:1228; ZINC:ZINC000006018929; SureChEMBL:SCHEMBL18240046; MolPort-020-005-923
Chemical structure download