Summary

IMPPAT Phytochemical identifier: IMPHY006326

Phytochemical name: 4-Hydroxyxanthone

Synonymous chemical names:
4-hydroxyxanthone

External chemical identifiers:
CID:611428, ChEMBL:CHEMBL359978, ChEBI:174079, ZINC:ZINC000004128067, SureChEMBL:SCHEMBL1788224

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Chemical structure information

SMILES:
Oc1cccc2c1oc1ccccc1c2=O

InChI:
InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H

InChIKey:
KBQFPPUAIJHDCO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6occcccc6c%10=O

Functional groups:
c=O, cO, 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: 0.82

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Chemical structure download