Summary

IMPPAT Phytochemical identifier: IMPHY014346

Phytochemical name: 1-Hydroxy-3,5,6,7-tetramethoxyxanthen-9-one

Synonymous chemical names:
1-hydroxy-3,5,6,7-tetramethoxy-xanthone, 1-hydroxy-3,5,6,7-tetramethoxyxanthone

External chemical identifiers:
CID:15910545, SureChEMBL:SCHEMBL15918251

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1OC)OC)OC

InChI:
InChI=1S/C17H16O7/c1-20-8-5-10(18)13-11(6-8)24-15-9(14(13)19)7-12(21-2)16(22-3)17(15)23-4/h5-7,18H,1-4H3

InChIKey:
MOWPWSJKLYDJIR-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))cccc6OC)))OC)))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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.151

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Chemical structure download