Summary

IMPPAT Phytochemical identifier: IMPHY006065

Phytochemical name: Cocculidine

Synonymous chemical names:
cocculidine, cocculitine

External chemical identifiers:
CID:72945082, ZINC:ZINC000014929090

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Chemical structure information

SMILES:
CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCc1c3cc(OC)cc1

InChI:
InChI=1S/C18H23NO2/c1-20-15-5-3-13-7-9-19-10-8-14-4-6-16(21-2)12-18(14,19)17(13)11-15/h3-5,11,16H,6-10,12H2,1-2H3/t16?,18-/m0/s1

InChIKey:
ZJIQUKCYEXAGJX-DAFXYXGESA-N

DeepSMILES:
CO[C@H]CC=C[C@]C6)NCC5))CCcc6ccOC))cc6

Functional groups:
CC=C(C)C, CN(C)C, COC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3CCc4ccccc4C23CCC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CCC3CCCCC321

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCCC312

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Erythrina alkaloids

ClassyFire Subclass: Erythrinanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 1.806

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Chemical structure download