Summary

IMPPAT Phytochemical identifier: IMPHY012874

Phytochemical name: 1-Hydroxy-3,7-dimethoxyxanthone

Synonymous chemical names:
1-hydroxy-3,7-dimethoxy-xanthone, 1-hydroxy-3,7-dimethoxyxanthone

External chemical identifiers:
CID:5488808, ChEBI:174570, SureChEMBL:SCHEMBL15918267

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC

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

InChIKey:
FWBPZAVSTQBRKT-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))cccc6))OC

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: Polyketides

NP Classifier Superclass: Xanthones

NP Classifier Class: Methyl xanthones, Plant xanthones

NP-Likeness score: 0.831

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Chemical structure download