RETINOL


Synonyms	Aquasol a Arovit NSC-122759 Nepalm Oleovitamin a Retinol Retinol (vit a) Retinol acetate Retinol palmitate Ro-a-vit Vitamin A Vitamin A 1 Vitamin A Solubilized Vitamin a Vitamin a oil
Status
Molecule Category	Free-form
ATC	D10AD02 R01AX02 S01XA02
UNII	G2SH0XKK91
EPA CompTox	DTXSID3023556


InChI Key	FPIPGXGPPPQFEQ-OVSJKPMPSA-N
Smiles	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
InChI	InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

Property Name	Value
Molecular Formula	C20H30O
Molecular Weight	286.46
AlogP	5.51
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor	-	180	-	-	-
Secreted protein	-	-	182	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	18.99-31.96
Unclassified protein	-	190	36	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	-	36	-	-
Cricetulus griseus	-	-	-	-	18.99-31.96
Homo sapiens	-	180-190	182	-	7.3-33
Rangifer tarandus	-	-	200	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	17336
ChEMBL	CHEMBL986
DrugBank	DB00162
DrugCentral	2831
FDA SRS	G2SH0XKK91
Guide to Pharmacology	4053
KEGG	C17276
PDB	RTL
PharmGKB	PA451884
PubChem	445354
SureChEMBL	SCHEMBL3112
ZINC	ZINC000003831417

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

RETINOL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References