Summary

IMPPAT Phytochemical identifier: IMPHY003214

Phytochemical name: (3R,4S)-3-hydroxy-1-methyl-4,5-diphenyl-3,4-dihydropyridin-2-one

Synonymous chemical names:
homoclausenamide

External chemical identifiers:
CID:24874130, ZINC:ZINC000000004773

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Chemical structure information

SMILES:
O=C1N(C)C=C([C@@H]([C@H]1O)c1ccccc1)c1ccccc1

InChI:
InChI=1S/C18H17NO2/c1-19-12-15(13-8-4-2-5-9-13)16(17(20)18(19)21)14-10-6-3-7-11-14/h2-12,16-17,20H,1H3/t16-,17+/m0/s1

InChIKey:
INMHUVDZWKKAOF-DLBZAZTESA-N

DeepSMILES:
O=CNC)C=C[C@@H][C@H]6O))cccccc6)))))))cccccc6

Functional groups:
CO, cC1=CN(C)C(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)C(c2ccccc2)=CN1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(C2CCCCC2)CN1

Scaffold Graph level:
CC1CCC(C2CCCCC2)C(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.294

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Chemical structure download