ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501174
CHEMBL501174
Compound Name LYCOPENE
ChEMBL Synonyms E160d
Max Phase 0
Trade Names
Molecular Formula C40H56

Additional synonyms for CHEMBL501174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C ...
Download SMILES
Standard InChI InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25 ...
Download InChI
Standard InChI Key OAIJSZIZWZSQBC-GYZMGTAESA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL501174

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 12.76 16 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
- - 14.53 14.53 0 40 0.14

Structural Alerts

There are 8 structural alerts for CHEMBL501174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OAIJSZIZWZSQBC-GYZMGTAESA-N
PubChem SID: 144205948 SID: 29218049
Wikipedia Lycopene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501174



ACToR 502-65-8
Brenda 195164 5062 2854
CarotenoidDB CA00043
ChEBI 15948
DrugBank DB11231
DrugCentral 4617
eMolecules 18595576
EPA CompTox Dashboard DTXSID2046593
FDA SRS SB0N2N0WV6
Human Metabolome Database HMDB0003000
IBM Patent System 83159E05DFFA78A71529238E046589ED
KEGG Ligand C05432
LipidMaps LMPR01070257
Metabolights MTBLC15948
MolPort MolPort-001-790-546
Nikkaji J617.462K J6.206E
PDBe LYC
PubChem 446925
PubChem: Thomson Pharma 14836883
Rhea 15948
SureChEMBL SCHEMBL20158
ZINC ZINC000008214943

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