Summary
SMILES: COc1cc(O)c2c(c1)oc1c(c2=O)cccc1OInChI: InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3InChIKey: IQIGECASJMDDMD-UHFFFAOYSA-N
DeepSMILES: COcccO)ccc6)occc6=O))cccc6O
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: Shikimates and Phenylpropanoids
NP Classifier Superclass: Xanthones
NP Classifier Class: Plant xanthones
Synonymous chemical names:1,5-dihydroxy-3-methoxy-xanthone, 1,5-dihydroxy-3-methoxy-xanthones, 1,5-dihydroxy-3-methoxyxanthone, mesuaxanthone a, mesuaxanthones a
External chemical identifiers:CID:5281651; ChEMBL:CHEMBL363747; ChEBI:6785; ZINC:ZINC000006483511; MolPort-035-706-472
Chemical structure download