Summary

IMPPAT Phytochemical identifier: IMPHY007934

Phytochemical name: Cudraniaxanthone

Synonymous chemical names:
cudraniaxanthone

External chemical identifiers:
CID:14412273, ZINC:ZINC000013412061

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Chemical structure information

SMILES:
C=CC(c1c(OC)cc2c(c1O)c(=O)c1c(o2)c(O)c(cc1)O)(C)C

InChI:
InChI=1S/C19H18O6/c1-5-19(2,3)14-12(24-4)8-11-13(17(14)23)15(21)9-6-7-10(20)16(22)18(9)25-11/h5-8,20,22-23H,1H2,2-4H3

InChIKey:
XLXGUDOZKIHQTN-UHFFFAOYSA-N

DeepSMILES:
C=CCccOC))cccc6O))c=O)cco6)cO)ccc6))O)))))))))))C)C

Functional groups:
C=CC, 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: 1.749

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Chemical structure download