Summary

IMPPAT Phytochemical identifier: IMPHY000158

Phytochemical name: Pyridoxine

Synonymous chemical names:
pyridoxine, vitamin b6

External chemical identifiers:
CID:1054, ChEMBL:CHEMBL1364, ChEBI:16709, ZINC:ZINC000000049154, FDASRS:KV2JZ1BI6Z, SureChEMBL:SCHEMBL3506, MolPort-002-319-991

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Chemical structure information

SMILES:
OCc1c(CO)cnc(c1O)C

InChI:
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3

InChIKey:
LXNHXLLTXMVWPM-UHFFFAOYSA-N

DeepSMILES:
OCccCO))cncc6O))C

Functional groups:
CO, cO, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccncc1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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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: 0.636

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Chemical structure download