Summary

IMPPAT Phytochemical identifier: IMPHY001723

Phytochemical name: Lycorenine

Synonymous chemical names:
lycorenine

External chemical identifiers:
CID:160472, ChEMBL:CHEMBL4208558, ChEBI:6599, ZINC:ZINC000004097650, MolPort-020-005-721

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Chemical structure information

SMILES:
COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)O[C@@H](c2cc1OC)O

InChI:
InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1

InChIKey:
VHYYSQODIQWPDO-PILAGYSTSA-N

DeepSMILES:
COccc[C@@H][C@@H]CC=C[C@H]6NC)CC5)))))))O[C@@H]c6cc%10OC)))))O

Functional groups:
CC=C(C)C, CN(C)C, cOC, c[C@@H](O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCNC2C2c3ccccc3COC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)COC1CCC3CCNC3C12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Homolycorine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 2.051

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Chemical structure download