Summary

IMPPAT Phytochemical identifier: IMPHY006621

Phytochemical name: Multiflorine

Synonymous chemical names:
multiflorine

External chemical identifiers:
CID:6918763, ChEMBL:CHEMBL517095, ZINC:ZINC000014610699, FDASRS:70G8C30AVF, SureChEMBL:SCHEMBL4364625

---

Chemical structure information

SMILES:
O=C1C=CN2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2

InChI:
InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14-,15+/m0/s1

InChIKey:
HQSKZPOVBDNEGN-NZBPQXDJSA-N

DeepSMILES:
O=CC=CN[C@H]C6)[C@H]C[C@@H]C6)[C@H]NC6)CCCC6

Functional groups:
CN(C)C, CN1C=CC(=O)CC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph/Node level:
OC1CCN2CC3CC(CN4CCCCC34)C2C1

Scaffold Graph level:
CC1CCC2CC3CC(CC4CCCCC43)C2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.678

---

Chemical structure download