Summary

IMPPAT Phytochemical identifier: IMPHY006836

Phytochemical name: Xanthone

Synonymous chemical names:
xanthone, xanthones

External chemical identifiers:
CID:7020, ChEMBL:CHEMBL186784, ChEBI:37647, ZINC:ZINC000003860823, FDASRS:9749WEV0CA, SureChEMBL:SCHEMBL41161, MolPort-001-759-220

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Chemical structure information

SMILES:
O=c1c2ccccc2oc2c1cccc2

InChI:
InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H

InChIKey:
JNELGWHKGNBSMD-UHFFFAOYSA-N

DeepSMILES:
O=ccccccc6occ%10cccc6

Functional groups:
c=O, 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-Likeness score: 0.135

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Chemical structure download