Summary

IMPPAT Phytochemical identifier: IMPHY006872

Phytochemical name: Nb-methyltetrahydroharman

Synonymous chemical names:
nb-methyltetrahydroharman

Chemical structure information

SMILES:
CN1CCc2c(C1C)[nH]c1c2cccc1

InChI:
InChI=1S/C13H16N2/c1-9-13-11(7-8-15(9)2)10-5-3-4-6-12(10)14-13/h3-6,9,14H,7-8H2,1-2H3

InChIKey:
VENAANZHUCMOGD-UHFFFAOYSA-N

DeepSMILES:
CNCCccC6C))[nH]cc5cccc6

Functional groups:
CN(C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)CNCC3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CNCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids, Corynanthe type

NP-Likeness score: 0.538

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Chemical structure download