Summary

IMPPAT Phytochemical identifier: IMPHY006114

Phytochemical name: 1,5-Dihydroxyxanthone

Synonymous chemical names:
1,5-dihydroxyxanthone

External chemical identifiers:
CID:5480299, ChEMBL:CHEMBL185686, ZINC:ZINC000015118974, SureChEMBL:SCHEMBL15527312

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Chemical structure information

SMILES:
Oc1cccc2c1oc1cccc(c1c2=O)O

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

InChIKey:
APIPFXZYOMIJQG-UHFFFAOYSA-N

DeepSMILES:
Occcccc6occcccc6c%10=O)))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: 1.268

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Chemical structure download