Summary

IMPPAT Phytochemical identifier: IMPHY014294

Phytochemical name: 1,2-Dimethoxyxanthone

Synonymous chemical names:
1,2-dimethoxy-xanthone, 1,2-dimethoxy-xanthones, 1,2-dimethoxyxanthone

External chemical identifiers:
CID:14189053, ChEMBL:CHEMBL4175535, ZINC:ZINC000013838737, SureChEMBL:SCHEMBL5612997

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Chemical structure information

SMILES:
COc1c(OC)ccc2c1c(=O)c1c(o2)cccc1

InChI:
InChI=1S/C15H12O4/c1-17-12-8-7-11-13(15(12)18-2)14(16)9-5-3-4-6-10(9)19-11/h3-8H,1-2H3

InChIKey:
ONRNUIQDDGNBFL-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6c=O)cco6)cccc6

Functional groups:
c=O, 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, Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Methyl xanthones, Plant xanthones

NP-Likeness score: 0.605

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Chemical structure download