Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014306

Phytochemical name: Plumerinine

Synonymous chemical names:
plumerinine, Plumerinine

External chemical identifiers:
CID:CID_14583329, ZINC:ZINC000169672008

---

Chemical structure information

SMILES:
O[C@H]1C[C@@H](C(C)C)N2[C@H](C1)[C@H](C)CC[C@H]2C

InChI:
InChI=1S/C14H27NO/c1-9(2)13-7-12(16)8-14-10(3)5-6-11(4)15(13)14/h9-14,16H,5-8H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1

InChIKey:
WPYIYVXSMXASQL-PEBLQZBPSA-N

DeepSMILES:
O[C@H]C[C@@H]CC)C))N[C@H]C6)[C@H]C)CC[C@H]6C

Functional groups:
CO, CN(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCN2CCCCC2C1

Scaffold Graph/Node level:
C1CCN2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolizines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.193

---

Chemical structure download