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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1293
CHEMBL1293
Compound Name BETA CAROTENE
ChEMBL Synonyms BETA CAROTENE | SOLATENE | BETAVIT | BETACAROTENE | LUCARATIN | Beta-carotene
Max Phase 4 (Approved)
Trade Names LUCARATIN | BETAVIT | SOLATENE
Molecular Formula C40H56

Additional synonyms for CHEMBL1293 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C ...
Download SMILES
Standard InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-3 ...
Download InChI
Standard InChI Key OENHQHLEOONYIE-JLTXGRSLSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1293

Molecule Features

CHEMBL1293 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

ClinicalTrials.gov BETA CAROTENE
The Cochrane Collaboration BETA CAROTENE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
536.9 536.4382 12 10 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 2 0 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 14.76 14.76 0 40 0.24

Structural Alerts

There are 7 structural alerts for CHEMBL1293. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D02 - EMOLLIENTS AND PROTECTIVES
D02B - PROTECTIVES AGAINST UV-RADIATION
D02BB - Protectives against UV-radiation for systemic use
D02BB01 - betacarotene

A - ALIMENTARY TRACT AND METABOLISM
A11 - VITAMINS
A11C - VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
A11CA - Vitamin A, plain
A11CA02 - betacarotene

ChemSpider ChemSpider:OENHQHLEOONYIE-JLTXGRSLSA-N
DailyMed beta carotene
PubChem SID: 144205110 SID: 26750098 SID: 47193664 SID: 87219208
Wikipedia Beta-Carotene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1293



BindingDB 54988
Brenda 8269 132440 858 16776
CarotenoidDB CA00309
ChEBI 17579
DrugBank DB06755
DrugCentral 345
eMolecules 17497505
EPA CompTox Dashboard DTXSID3020253
FDA SRS 01YAE03M7J
Human Metabolome Database HMDB0000561
LipidMaps LMPR01070001
Metabolights MTBLC17579
MolPort MolPort-001-785-959
Nikkaji J617.461B J648.552I J3.095C J889.196F
PDBe BCR
PubChem 5280489
PubChem: Thomson Pharma 14910192
Recon caro
Rhea 17579
Selleck Beta-Carotene
SureChEMBL SCHEMBL6151
ZINC ZINC000006845076

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OENHQHLEOONYIE-JLTXGRSLSA-N spacer
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