Summary

IMPPAT Phytochemical identifier: IMPHY002788

Phytochemical name: 5,7-Dihydroxy-4'-methoxy-8,3'-di-C-prenylflavanone

Synonymous chemical names:
nimba flavone, nimbaflavone, nimbaflavones

External chemical identifiers:
CID:14492795

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Chemical structure information

SMILES:
COc1ccc(cc1CC=C(C)C)C1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2O)O

InChI:
InChI=1S/C26H30O5/c1-15(2)6-8-17-12-18(9-11-23(17)30-5)24-14-22(29)25-21(28)13-20(27)19(26(25)31-24)10-7-16(3)4/h6-7,9,11-13,24,27-28H,8,10,14H2,1-5H3

InChIKey:
UJHSMBNEFBESCZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC=CC)C))))))CCC=O)ccO6)cCC=CC)C))))ccc6O)))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: 1.822

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Chemical structure download