Summary

IMPPAT Phytochemical identifier: IMPHY009333

Phytochemical name: Leonticine

Synonymous chemical names:
leonticine

External chemical identifiers:
CID:12314123, ZINC:ZINC000085996316

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/c1c(CCN(C)C)ccc(c1O)OC

InChI:
InChI=1S/C20H25NO3/c1-21(2)14-13-16-8-12-19(24-4)20(22)18(16)11-7-15-5-9-17(23-3)10-6-15/h5-12,22H,13-14H2,1-4H3/b11-7+

InChIKey:
GVZVHYFESLXAML-YRNVUSSQSA-N

DeepSMILES:
COcccccc6))/C=C/ccCCNC)C))))cccc6O))OC

Functional groups:
CN(C)C, c/C=C/c, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.329

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Chemical structure download