Summary

IMPPAT Phytochemical identifier: IMPHY014064

Phytochemical name: 9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-

Synonymous chemical names:
1-hydroxy-2,3,4,5-tetramethoxyxanthone

External chemical identifiers:
CID:5318357, SureChEMBL:SCHEMBL18240048

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Chemical structure information

SMILES:
COc1c(OC)c2oc3c(OC)cccc3c(=O)c2c(c1OC)O

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

InChIKey:
ZHOIDKZROFMQSS-UHFFFAOYSA-N

DeepSMILES:
COccOC))coccOC))cccc6c=O)c%10cc%14OC)))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: 1.221

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Chemical structure download