Summary

IMPPAT Phytochemical identifier: IMPHY013244

Phytochemical name: 1,3,8-Trihydroxy-7-methoxyxanthone

Synonymous chemical names:
1,3,8-trihydroxy-7-methoxy-xanthone, 1,3,8-trihydroxy-7-methoxyxanthone

External chemical identifiers:
CID:14839957

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Chemical structure information

SMILES:
COc1ccc2c(c1O)c(=O)c1c(o2)cc(cc1O)O

InChI:
InChI=1S/C14H10O6/c1-19-9-3-2-8-12(13(9)17)14(18)11-7(16)4-6(15)5-10(11)20-8/h2-5,15-17H,1H3

InChIKey:
CNMVOPXKKWCJHT-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))c=O)cco6)cccc6O)))O

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: Polyketides

NP Classifier Superclass: Xanthones

NP Classifier Class: Methyl xanthones, Plant xanthones

NP-Likeness score: 1.59

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Chemical structure download