Summary

IMPPAT Phytochemical identifier: IMPHY006014

Phytochemical name: 2-Hydroxyxanthone

Synonymous chemical names:
2-hydroxy-xanthone, 2-hydroxy-xanthones, 2-hydroxyxanthone

External chemical identifiers:
CID:74708, ChEMBL:CHEMBL185960, ChEBI:108579, ZINC:ZINC000003979037, SureChEMBL:SCHEMBL1675981

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)cccc1

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

InChIKey:
WSACHQJPCNOREV-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)c=O)cco6)cccc6

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: 0.585

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Chemical structure download