Summary

IMPPAT Phytochemical identifier: IMPHY005906

Phytochemical name: Tanakine

Synonymous chemical names:
(+)- tanakine

External chemical identifiers:
CID:57357311

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Chemical structure information

SMILES:
OC(C(O)(C)C)Cc1c[nH]c2c1cccc2

InChI:
InChI=1S/C13H17NO2/c1-13(2,16)12(15)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14-16H,7H2,1-2H3

InChIKey:
JPRWHAIHJJJQTF-UHFFFAOYSA-N

DeepSMILES:
OCCO)C)C))Ccc[nH]cc5cccc6

Functional groups:
CO, 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: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.996

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Chemical structure download