EcoDrugPlus


Synonyms	Adermine Hexa-Betalin Hexabione M.V.I.-12 NSC-759148 Pyridoxine Pyridoxine (vit b6) Pyridoxol Vitamin B6 Vitamin b-6 Vitamin v6
Status
Molecule Category	Free-form
UNII	KV2JZ1BI6Z
EPA CompTox	DTXSID4023541


InChI Key	LXNHXLLTXMVWPM-UHFFFAOYSA-N
Smiles	Cc1ncc(CO)c(CO)c1O
InChI	InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3

Property Name	Value
Molecular Formula	C8H11NO3
Molecular Weight	169.18
AlogP	0.08
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	73.58
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	12.0

Resources	Reference
ChEBI	16709
ChEMBL	CHEMBL1364
DrugBank	DB00165
DrugCentral	2836
FDA SRS	KV2JZ1BI6Z
Human Metabolome Database	HMDB0000239
KEGG	C00314
PDB	UEG
PharmGKB	PA451897
PubChem	1054
SureChEMBL	SCHEMBL3506
ZINC	ZINC000000049154

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

PYRIDOXINE

Structure

Physicochemical Descriptors

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