Summary

IMPPAT Phytochemical identifier: IMPHY003206

Phytochemical name: Bufotenidine

Synonymous chemical names:
bufotenidine

External chemical identifiers:
CID:3083591

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Chemical structure information

SMILES:
[O-]c1ccc2c(c1)c(CC[N+](C)(C)C)c[nH]2

InChI:
InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3

InChIKey:
HIYGARYIJIZXGW-UHFFFAOYSA-N

DeepSMILES:
[O-]cccccc6)cCC[N+]C)C)C))))c[nH]5

Functional groups:
C[N+](C)(C)C, c[O-], c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Tryptamines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.41

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Chemical structure download