Summary

IMPPAT Phytochemical identifier: IMPHY008331

Phytochemical name: Lycocernuine

Synonymous chemical names:
lycocernuine

External chemical identifiers:
CID:442481, ChEBI:6589

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Chemical structure information

SMILES:
C[C@@H]1C[C@@H]2C[C@@H]3CCCC(=O)N3[C@@H]3N2[C@H](C1)[C@H](O)CC3

InChI:
InChI=1S/C16H26N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h10-15,19H,2-9H2,1H3/t10-,11+,12-,13-,14-,15+/m1/s1

InChIKey:
IPJWEZOVCXECOG-FVUFVHQMSA-N

DeepSMILES:
C[C@@H]C[C@@H]C[C@@H]CCCC=O)N6[C@@H]N%10[C@H]C%14)[C@H]O)CC6

Functional groups:
CC(=O)N(C)[C@@H](C)N(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CC3CCCC4CCCC(N12)N43

Scaffold Graph/Node level:
OC1CCCC2CC3CCCC4CCCC(N12)N43

Scaffold Graph level:
CC1CCCC2CC3CCCC4CCCC(C12)C43

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.657

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Chemical structure download