BETA CAROTENE


Trade Names	SOLATENE
Synonyms	.beta.-carotene All-trans-.beta.-carotene Beta carotene Beta, beta-carotene Beta,beta-carotene Beta-carotene Betacarotene Betavit C.I.-40800 Caroten base 35468 Carotene,beta Ci 40800 Ci 75130 Ci food orange 5 E-160a(iii)
Status
Molecule Category	Free-form
UNII	01YAE03M7J
EPA CompTox	DTXSID3020253


InChI Key	OENHQHLEOONYIE-JLTXGRSLSA-N
Smiles	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
InChI	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

Property Name	Value
Molecular Formula	C40H56
Molecular Weight	536.89
AlogP	12.61
Number of Rotational Bond	10.0
Heavy Atoms	40.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	616.6	-	340	9.952-13.45

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	616.6	-	340	9.952-13.45
Homo sapiens	-	-	-	-	70
Human herpesvirus 4	-	12.7	-	-	0-100

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	17579
ChEMBL	CHEMBL1293
DrugBank	DB06755
DrugCentral	345
FDA SRS	01YAE03M7J
KEGG	C02094
PDB	BCR
PubChem	5280489
SureChEMBL	SCHEMBL6151
ZINC	ZINC000006845076

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

BETA CAROTENE

Structure

Physicochemical Descriptors

Pharmacology

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