RETINOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D10AD02
UNII: G2SH0XKK91

Structure
InChI Key FPIPGXGPPPQFEQ-OVSJKPMPSA-N
Smile 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+

Physicochemical Descriptors

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

Pharmacology

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
- - - - 19
Unclassified protein
- 190 36 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis 3 D014376 ClinicalTrials
Malaria 3 D008288 ClinicalTrials
Vitamin A Deficiency 3 D014802 ClinicalTrials
Retinitis Pigmentosa 3 D012174 ClinicalTrials
Diarrhea 3 D003967 ClinicalTrials
Ectoparasitic Infestations 3 D004478 ClinicalTrials
Malnutrition 3 D044342 ClinicalTrials
Purpura 2 D011693 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Infections 2 D007239 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 68-26-8
ChEBI 17336
ChEMBL CHEMBL986
DrugBank DB00162
DrugCentral 2831
EPA CompTox DTXSID3023556
FDA SRS G2SH0XKK91
Guide to Pharmacology 4053
KEGG C17276
PDB RTL
PharmGKB PA451884
PubChem 445354
SureChEMBL SCHEMBL3112
ZINC ZINC000003831417
CONTENTS