Summary

IMPPAT Phytochemical identifier: IMPHY011868

Phytochemical name: Genisteine

Synonymous chemical names:
alpha-isosparteine, isosparteine, isosparteine, alpha

External chemical identifiers:
CID:92759, ChEMBL:CHEMBL1328708, ChEBI:81074, ZINC:ZINC000000000721, FDASRS:94BIS8AH96, SureChEMBL:SCHEMBL5002193

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Chemical structure information

SMILES:
C1CC[C@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2

InChI:
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15+/m0/s1

InChIKey:
SLRCCWJSBJZJBV-BYNSBNAKSA-N

DeepSMILES:
CCC[C@H]NC6)C[C@@H]C[C@H]6CN[C@@H]6CCCC6

Functional groups:
CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph/Node level:
C1CCN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph level:
C1CCC2C(C1)CC1CC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Lupin alkaloids

ClassyFire Subclass: Sparteine, lupanine, and related alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 0.613

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Chemical structure download