Summary

IMPPAT Phytochemical identifier: IMPHY002444

Phytochemical name: O-Methylmaritidine

Synonymous chemical names:
o-methylmaritidine

External chemical identifiers:
CID:101711019, ZINC:ZINC000014587205

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Chemical structure information

SMILES:
CO[C@@H]1C=C[C@]23[C@H](C1)N(CC2)Cc1c3cc(OC)c(c1)OC

InChI:
InChI=1S/C18H23NO3/c1-20-13-4-5-18-6-7-19(17(18)9-13)11-12-8-15(21-2)16(22-3)10-14(12)18/h4-5,8,10,13,17H,6-7,9,11H2,1-3H3/t13-,17+,18+/m1/s1

InChIKey:
WFMPBYKDVOTCEI-BVGQSLNGSA-N

DeepSMILES:
CO[C@@H]C=C[C@][C@H]C6)NCC5))Ccc6ccOC))cc6)OC

Functional groups:
CC=CC, CN(C)C, COC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCN(Cc4ccccc42)C3CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC23CCCCC13

Scaffold Graph level:
C1CCC2C(C1)CC1CCC23CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Isoquinoline alkaloids

NP-Likeness score: 2.202

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Chemical structure download