Summary

IMPPAT Phytochemical identifier: IMPHY006580

Phytochemical name: 2-Methoxy-9H-xanthen-9-one

Synonymous chemical names:
2-methoxy-xanthone, 2-methoxy-xanthones, 2-methoxyxanthone

External chemical identifiers:
CID:71034, ChEMBL:CHEMBL186609, ChEBI:169168, ZINC:ZINC000003979039, SureChEMBL:SCHEMBL394209, MolPort-000-004-720

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Chemical structure information

SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)cccc1

InChI:
InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3

InChIKey:
DVZCOQQFPCMIPO-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)c=O)cco6)cccc6

Functional groups:
c=O, 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: 0.075

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Chemical structure download