Summary

IMPPAT Phytochemical identifier: IMPHY008557

Phytochemical name: Flemiflavanone D

Synonymous chemical names:
flemiflavanone d

External chemical identifiers:
CID:42607928

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc(c2c1OC(CC2=O)c1ccc(c(c1)CC1OC1(C)C)O)O)C

InChI:
InChI=1S/C25H28O6/c1-13(2)5-7-16-18(27)11-19(28)23-20(29)12-21(30-24(16)23)14-6-8-17(26)15(9-14)10-22-25(3,4)31-22/h5-6,8-9,11,21-22,26-28H,7,10,12H2,1-4H3

InChIKey:
NTHBAQJPQOMDRE-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6OCCC6=O)))cccccc6)CCOC3C)C))))))O)))))))))O)))))))C

Functional groups:
CC1OC1(C)C, CC=C(C)C, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2cccc(CC3CO3)c2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCC(CC3CO3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(CC3CC3)C2)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: 2.505

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Chemical structure download