Summary

IMPPAT Phytochemical identifier: IMPHY007122

Phytochemical name: Actinidine

Synonymous chemical names:
(+)-actinidine, (-)-actinidine, (s)-actinidine, actinidine

External chemical identifiers:
CID:68231, ChEBI:2443, SureChEMBL:SCHEMBL692365

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Chemical structure information

SMILES:
C[C@H]1CCc2c1cncc2C

InChI:
InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1

InChIKey:
ZHQQRIUYLMXDPP-ZETCQYMHSA-N

DeepSMILES:
C[C@H]CCcc5cncc6C

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(cn1)CCC2

Scaffold Graph/Node level:
C1CC2CCNCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Nicotinic acid alkaloids, Pseudoalkaloids

NP Classifier Class: Pyridine alkaloids, Terpenoid alkaloids

NP-Likeness score: 1.105

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Chemical structure download