Summary

IMPPAT Phytochemical identifier: IMPHY005822

Phytochemical name: 1,3-Dihydroxy-6,7-dimethoxyxanthone

Synonymous chemical names:
1,3-dihydroxy-6,7-dimethoxy xanthone, 1,3-dihydroxy-6,7-dimethoxy-xanthone, 1,3-dihydroxy-6,7-dimethoxyxanthone, laxanthone i

External chemical identifiers:
CID:69866203, ChEMBL:CHEMBL3357571, SureChEMBL:SCHEMBL6687589

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Chemical structure information

SMILES:
COc1cc2oc3cc(O)cc(c3c(=O)c2cc1OC)O

InChI:
InChI=1S/C15H12O6/c1-19-11-5-8-10(6-12(11)20-2)21-13-4-7(16)3-9(17)14(13)15(8)18/h3-6,16-17H,1-2H3

InChIKey:
LOZIYAQUVDQPDB-UHFFFAOYSA-N

DeepSMILES:
COcccocccO)ccc6c=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: 1.2

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Chemical structure download