Summary

IMPPAT Phytochemical identifier: IMPHY013932

Phytochemical name: 2,3-Dimethoxyxanthen-9-one

Synonymous chemical names:
2,3-dimethoxy-xanthone, 2,3-dimethoxy-xanthones, 2,3-dimethoxyxanthone

External chemical identifiers:
CID:253955, ChEMBL:CHEMBL1434162, ZINC:ZINC000004887682, SureChEMBL:SCHEMBL7331674

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)oc1c(c2=O)cccc1

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

InChIKey:
FWCWUPRCWDSQEN-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))occc6=O))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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 0.288

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Chemical structure download