Summary

IMPPAT Phytochemical identifier: IMPHY001324

Phytochemical name: O-Methyllycorenine

Synonymous chemical names:
o-methyllycorenine

External chemical identifiers:
CID:443730, ChEMBL:CHEMBL4211661, ChEBI:31928, ZINC:ZINC000004102431

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Chemical structure information

SMILES:
CO[C@H]1O[C@@H]2CC=C3[C@H]([C@@H]2c2c1cc(OC)c(c2)OC)N(C)CC3

InChI:
InChI=1S/C19H25NO4/c1-20-8-7-11-5-6-14-17(18(11)20)12-9-15(21-2)16(22-3)10-13(12)19(23-4)24-14/h5,9-10,14,17-19H,6-8H2,1-4H3/t14-,17-,18-,19+/m1/s1

InChIKey:
ABEASKLJNCROIZ-AXUOBQJMSA-N

DeepSMILES:
CO[C@H]O[C@@H]CC=C[C@H][C@@H]6cc%10ccOC))cc6)OC))))))))NC)CC5

Functional groups:
CC=C(C)C, CN(C)C, cOC, c[C@@H](OC)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: 1.952

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Chemical structure download