Summary

IMPPAT Phytochemical identifier: IMPHY010549

Phytochemical name: Norsecurinine

Synonymous chemical names:
nor securinine, nor-securinine, norsecurinine

External chemical identifiers:
CID:11106439, ZINC:ZINC000031460486, FDASRS:OPF6A516XH, SureChEMBL:SCHEMBL20558492

---

Chemical structure information

SMILES:
O=C1C=C2[C@@]3(O1)C[C@@H](C=C2)N1[C@@H]3CCC1

InChI:
InChI=1S/C12H13NO2/c14-11-6-8-3-4-9-7-12(8,15-11)10-2-1-5-13(9)10/h3-4,6,9-10H,1-2,5,7H2/t9-,10-,12+/m1/s1

InChIKey:
NBGOALXYAZVRPS-FOGDFJRCSA-N

DeepSMILES:
O=CC=C[C@@]O5)C[C@@H]C=C6))N[C@@H]5CCC5

Functional groups:
CC=CC1=CC(=O)OC1, CN(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CC3CC2(O1)C1CCCN31

Scaffold Graph/Node level:
OC1CC2CCC3CC2(O1)C1CCCN31

Scaffold Graph level:
CC1CC2CCC3CC2(C1)C1CCCC31

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Tryptophan alkaloids

NP Classifier Class: Quinolizidine alkaloids, Simple indole alkaloids

NP-Likeness score: 3.275

---

Chemical structure download