Summary

IMPPAT Phytochemical identifier: IMPHY009329

Phytochemical name: Norpluviine

Synonymous chemical names:
norpluviine

External chemical identifiers:
CID:12313583, ChEMBL:CHEMBL584172, ZINC:ZINC000014660539

---

Chemical structure information

SMILES:
COc1cc2c(cc1O)CN1[C@H]3[C@H]2[C@H](O)CC=C3CC1

InChI:
InChI=1S/C16H19NO3/c1-20-14-7-11-10(6-13(14)19)8-17-5-4-9-2-3-12(18)15(11)16(9)17/h2,6-7,12,15-16,18-19H,3-5,8H2,1H3/t12-,15-,16-/m1/s1

InChIKey:
KYCRETLRESMMIM-DAXOMENPSA-N

DeepSMILES:
COcccccc6O)))CN[C@H][C@H]6[C@H]O)CC=C6CC9

Functional groups:
CC=C(C)C, CN(C)C, CO, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3Cc4ccccc4C(CC1)C23

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CCCC2C31

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 2.497

---

Chemical structure download