Summary

IMPPAT Phytochemical identifier: IMPHY012794

Phytochemical name: 1-Hydroxy-2,3,4,7-tetramethoxyxanthone

Synonymous chemical names:
1-hydroxy-2,3,4,7-tetramethoxyxanthone

External chemical identifiers:
CID:5318358, ZINC:ZINC000014648847, MolPort-027-836-472

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Chemical structure information

SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)c(OC)c(c(c1O)OC)OC

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

InChIKey:
MIPXRVRWIMVNPA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)c=O)cco6)cOC))ccc6O))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: 1.087

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Chemical structure download