Summary

IMPPAT Phytochemical identifier: IMPHY013968

Phytochemical name: 2-Hydroxy-3,4-dimethoxyxanthen-9-one

Synonymous chemical names:
2-hydroxy-3,4-dimethoxy-xanthone, 2-hydroxy-3,4-dimethoxyxanthone

External chemical identifiers:
CID:493302, ChEMBL:CHEMBL2029863

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Chemical structure information

SMILES:
COc1c(OC)c(O)cc2c1oc1ccccc1c2=O

InChI:
InChI=1S/C15H12O5/c1-18-14-10(16)7-9-12(17)8-5-3-4-6-11(8)20-13(9)15(14)19-2/h3-7,16H,1-2H3

InChIKey:
QRZSRGUYEIXKQV-UHFFFAOYSA-N

DeepSMILES:
COccOC))cO)ccc6occcccc6c%10=O

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: 1.056

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Chemical structure download