Summary

IMPPAT Phytochemical identifier: IMPHY011507

Phytochemical name: O-Methylarmepavine

Synonymous chemical names:
(+) o-methyl armepavine, (+)-o-methylarmepavine, (+)o-methylarmepavine

External chemical identifiers:
CID:821338

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Chemical structure information

SMILES:
COc1ccc(cc1)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC

InChI:
InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3/t18-/m1/s1

InChIKey:
LZJWNVLTWYMMDJ-GOSISDBHSA-N

DeepSMILES:
COcccccc6))C[C@H]NC)CCcc6ccOC))cc6)OC

Functional groups:
CN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2NCCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Benzylisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids

NP-Likeness score: 0.561

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Chemical structure download