Summary

IMPPAT Phytochemical identifier: IMPHY004104

Phytochemical name: 5H-2-Pyrindin-6-ol, 6,7-dihydro-7-methyl-, (6R-cis)-

Synonymous chemical names:
gentialutine, isogentialutine, venoterpine

External chemical identifiers:
CID:56842090

---

Chemical structure information

SMILES:
O[C@@H]1Cc2c([C@@H]1C)cncc2

InChI:
InChI=1S/C9H11NO/c1-6-8-5-10-3-2-7(8)4-9(6)11/h2-3,5-6,9,11H,4H2,1H3/t6-,9+/m0/s1

InChIKey:
IOIGOIPHPUCFOB-IMTBSYHQSA-N

DeepSMILES:
O[C@@H]Ccc[C@@H]5C))cncc6

Functional groups:
CO, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(cn1)CCC2

Scaffold Graph/Node level:
C1CC2CCNCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 1.434

---

Chemical structure download