Summary

IMPPAT Phytochemical identifier: IMPHY013335

Phytochemical name: Hexamethoxyxanthone

Synonymous chemical names:
hexamethoxyxanthone

External chemical identifiers:
CID:22998364, SureChEMBL:SCHEMBL7230998

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Chemical structure information

SMILES:
COc1c(OC)c(OC)c2c(c1OC)c(=O)c1c(o2)c(OC)c(cc1)OC

InChI:
InChI=1S/C19H20O8/c1-21-10-8-7-9-12(20)11-15(23-3)17(24-4)19(26-6)18(25-5)16(11)27-13(9)14(10)22-2/h7-8H,1-6H3

InChIKey:
DXLQGLDRRHXLAZ-UHFFFAOYSA-N

DeepSMILES:
COccOC))cOC))ccc6OC)))c=O)cco6)cOC))ccc6))OC

Functional groups:
c=O, 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: 1.016

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Chemical structure download