Summary

IMPPAT Phytochemical identifier: IMPHY014315

Phytochemical name: 1,2-Dimethoxy-3,8-dihydroxyxanthone

Synonymous chemical names:
1,2-dimethoxy-3,8-dihydroxyxanthone

External chemical identifiers:
CID:14630572, ZINC:ZINC000014764175

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1OC)c(=O)c1c(o2)cccc1O

InChI:
InChI=1S/C15H12O6/c1-19-14-8(17)6-10-12(15(14)20-2)13(18)11-7(16)4-3-5-9(11)21-10/h3-6,16-17H,1-2H3

InChIKey:
WGHXAVBNSLELQQ-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6OC)))c=O)cco6)cccc6O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.551

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Chemical structure download