Summary

IMPPAT Phytochemical identifier: IMPHY001045

Phytochemical name: Boschniakine

Synonymous chemical names:
(+)-boschniakine, boschniakine

External chemical identifiers:
CID:442507, ChEBI:3157

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Chemical structure information

SMILES:
O=Cc1cncc2c1CC[C@H]2C

InChI:
InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3/t7-/m1/s1

InChIKey:
OPRAONAUWNNOOV-SSDOTTSWSA-N

DeepSMILES:
O=Cccnccc6CC[C@H]5C

Functional groups:
cC=O, 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: Pyridine carboxaldehydes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 1.348

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Chemical structure download