Summary

IMPPAT Phytochemical identifier: IMPHY012784

Phytochemical name: 1,3-Dihydroxy-4,5-dimethoxyxanthone

Synonymous chemical names:
1,3-dihydroxy-4,5-dimethoxyxanthone

External chemical identifiers:
CID:5316765, ZINC:ZINC000014764315

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Chemical structure information

SMILES:
COc1cccc2c1oc1c(OC)c(O)cc(c1c2=O)O

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

InChIKey:
OKHSSWSJVGEHDK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6occOC))cO)ccc6c%10=O)))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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.412

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Chemical structure download