Summary

IMPPAT Phytochemical identifier: IMPHY011867

Phytochemical name: alpha-Isosparteine

Synonymous chemical names:
genisteine

External chemical identifiers:
CID:15939859, ZINC:ZINC000000900367, SureChEMBL:SCHEMBL14331495

---

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-XGUBFFRZSA-N

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

Functional groups:
CN(C)C

---

Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph level:
C1CCC2C(C1)CC1CC2CC2CCCCC21

---

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

---

Chemical structure download