Summary

IMPPAT Phytochemical identifier: IMPHY003466

Phytochemical name: 5'-O-beta-D-Glucosylpyridoxine

Synonymous chemical names:
5'-o-beta-d-glucopyranosyl-pyridoxine, 5'o-(beta-d-glucopyranosyl)-pyroxidine, 5-o-beta-d-glucopyranosylpyridoxine

External chemical identifiers:
CID:440188, ChEBI:17382, SureChEMBL:SCHEMBL14142070

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCc2cnc(c(c2CO)O)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1

InChIKey:
MDLTWTOQCHCLSZ-RGCYKPLRSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCccnccc6CO)))O))C)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC, cO, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cncc(COC2CCCCO2)c1

Scaffold Graph/Node level:
C1CCC(OCC2CCCNC2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Pyridoxines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 1.666

---

Chemical structure download