Summary

IMPPAT Phytochemical identifier: IMPHY006441

Phytochemical name: Lycodine

Synonymous chemical names:
lycodine

External chemical identifiers:
CID:5462443, ChEBI:6591, FDASRS:7K0NX2M1NN, SureChEMBL:SCHEMBL12487986

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Chemical structure information

SMILES:
C[C@@H]1C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4)cccn3

InChI:
InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12+,13-,16-/m1/s1

InChIKey:
JJPMUZRSJKMFRK-OQMKEHIESA-N

DeepSMILES:
C[C@@H]C[C@H]Ccc[C@@]C8)[C@@H]6CCCN6))))))cccn6

Functional groups:
CNC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnc2c(c1)C13CCCC(C2)C1CCCN3

Scaffold Graph/Node level:
C1CNC23CCCC(CC4NCCCC42)C3C1

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC23CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Phenanthrolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP-Likeness score: 1.442

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Chemical structure download