Summary

IMPPAT Phytochemical identifier: IMPHY013085

Phytochemical name: Cocculolidine

Synonymous chemical names:
cocculolidine

External chemical identifiers:
CID:12303714

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Chemical structure information

SMILES:
COC1CC=C2C3(C1)N(CC2)CCC1=C3C(=O)OC1

InChI:
InChI=1S/C15H19NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2,12H,3-9H2,1H3

InChIKey:
QVOZBDJFWDSZQW-UHFFFAOYSA-N

DeepSMILES:
COCCC=CCC6)NCC5))CCC=C6C=O)OC5

Functional groups:
CC1=C(C)C(=O)OC1, CC=C(C)C, CN(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=C1C13CCCC=C1CCN3CC2

Scaffold Graph/Node level:
OC1OCC2CCN3CCC4CCCCC43C21

Scaffold Graph level:
CC1CCC2CCC3CCC4CCCCC43C12

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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, Tyrosine alkaloids

NP Classifier Class: Homoerythrina alkaloids, Indolizidine alkaloids

NP-Likeness score: 2.574

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Chemical structure download