Summary

IMPPAT Phytochemical identifier: IMPHY012884

Phytochemical name: 1,6-Dihydroxyxanthone

Synonymous chemical names:
1,6-dihydroxyxanthone

External chemical identifiers:
CID:5493674, ChEMBL:CHEMBL459695, SureChEMBL:SCHEMBL2316559

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc1c(c2=O)c(O)ccc1

InChI:
InChI=1S/C13H8O4/c14-7-4-5-8-11(6-7)17-10-3-1-2-9(15)12(10)13(8)16/h1-6,14-15H

InChIKey:
IUSXGFFUHTXSRD-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))cO)ccc6

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: 1.18

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Chemical structure download