Summary

IMPPAT Phytochemical identifier: IMPHY004952

Phytochemical name: cudraflavone A

Synonymous chemical names:
cudraflavone a, isocyclomorusin

External chemical identifiers:
CID:5316261, ChEMBL:CHEMBL230558, ChEBI:176046

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Chemical structure information

SMILES:
CC(=CC1Oc2cc(O)ccc2-c2c1c(=O)c1c(o2)cc2c(c1O)C=CC(O2)(C)C)C

InChI:
InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3

InChIKey:
UEENYRGPBCHSLB-UHFFFAOYSA-N

DeepSMILES:
CC=CCOcccO)ccc6-cc%10c=O)cco6)cccc6O))C=CCO6)C)C)))))))))))))))))))))C

Functional groups:
CC=C(C)C, c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3cc4c(cc13)C=CCO4)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CC3CCCOC3CC2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CC3CCCCC3CC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.833

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Chemical structure download