Summary

IMPPAT Phytochemical identifier: IMPHY002067

Phytochemical name: 1-Hydroxy-7-methoxyxanthone

Synonymous chemical names:
1-hydroxy-7-methoxy-xanthone, 1-hydroxy-7-methoxyxanthone

External chemical identifiers:
CID:12214329, ChEMBL:CHEMBL3093490, ZINC:ZINC000015119030, SureChEMBL:SCHEMBL20356594

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Chemical structure information

SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)cccc1O

InChI:
InChI=1S/C14H10O4/c1-17-8-5-6-11-9(7-8)14(16)13-10(15)3-2-4-12(13)18-11/h2-7,15H,1H3

InChIKey:
YYEBGEJSHOBJIB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)c=O)cco6)cccc6O

Functional groups:
c=O, cO, cOC, 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: 0.717

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Chemical structure download