Summary

IMPPAT Phytochemical identifier: IMPHY006442

Phytochemical name: Lycopodine

Synonymous chemical names:
lycopodine

External chemical identifiers:
CID:5462445, ChEMBL:CHEMBL3805710, ChEBI:6597, ZINC:ZINC000004098396, FDASRS:NTV9A2GW9H, SureChEMBL:SCHEMBL613890

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Chemical structure information

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

InChI:
InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1

InChIKey:
BCZFSDNVXODRAJ-JTTNIQEDSA-N

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

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

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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: 1.973

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Chemical structure download