Summary

IMPPAT Phytochemical identifier: IMPHY014236

Phytochemical name: 9H-Xanthen-9-one, 2-hydroxy-3-methoxy-

Synonymous chemical names:
2-hydroxy-3-methoxy-xanthone, 2-hydroxy-3-methoxyxanthone

External chemical identifiers:
CID:12214327

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Chemical structure information

SMILES:
COc1cc2oc3ccccc3c(=O)c2cc1O

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

InChIKey:
ZXVAPEXGRPGWCF-UHFFFAOYSA-N

DeepSMILES:
COcccocccccc6c=O)c%10cc%14O

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: 0.712

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Chemical structure download