Summary

IMPPAT Phytochemical identifier: IMPHY014996

Phytochemical name: Lycodoline

Synonymous chemical names:
lycodoline

External chemical identifiers:
CID:12312555, ZINC:ZINC000071789561, MolPort-020-005-720

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Chemical structure information

SMILES:
C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@]2(O)CCCN4CCC3

InChI:
InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1

InChIKey:
DBMXKPOCXQNWOQ-WALBABNVSA-N

DeepSMILES:
C[C@@H]C[C@H]CC=O)[C@@H][C@@]C8)[C@]6O)CCCN6CCC%10

Functional groups:
CC(C)=O, CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC34C1CCCN3CCCC24

Scaffold Graph/Node level:
OC1CC2CCCC34C1CCCN3CCCC24

Scaffold Graph level:
CC1CC2CCCC34C(CCCC13)CCCC24

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.385

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Chemical structure download