Summary

IMPPAT Phytochemical identifier: IMPHY005470

Phytochemical name: Euxanthone

Synonymous chemical names:
1,7,-dihydroxyxanthone, 1,7- dihydroxyxanthone, 1,7-dihydroxy-xanthones, 1,7-dihydroxyxanthone, 1,7-dihydroxyxanthone (euxanthone), euxanthone

External chemical identifiers:
CID:5281631, ChEMBL:CHEMBL389166, ChEBI:4946, ZINC:ZINC000006524916, SureChEMBL:SCHEMBL1230282, MolPort-000-882-122

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)cccc1O

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

InChIKey:
KDXFPEKLLFWHMN-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)c=O)cco6)cccc6O

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: Methyl xanthones, Plant xanthones

NP-Likeness score: 1.126

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Chemical structure download