Summary

IMPPAT Phytochemical identifier: IMPHY008556

Phytochemical name: Flemiflavanone A

Synonymous chemical names:
flemiflavanone a

External chemical identifiers:
CID:14531501

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)C1CC(=O)c2c(O1)c(CC=C(C)C)c(c(c2O)CC=C(C)C)O

InChI:
InChI=1S/C26H30O6/c1-14(2)6-9-18-24(29)19(10-7-15(3)4)26-23(25(18)30)21(28)13-22(32-26)17-11-8-16(31-5)12-20(17)27/h6-8,11-12,22,27,29-30H,9-10,13H2,1-5H3

InChIKey:
QEGPSSPBJOHJHG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))CCC=O)ccO6)cCC=CC)C))))ccc6O))CC=CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.905

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Chemical structure download