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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL173929
CHEMBL173929
Compound Name LUTEIN
ChEMBL Synonyms E161b
Max Phase 0
Trade Names
Molecular Formula C40H56O2

Additional synonyms for CHEMBL173929 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)C[C@@H](O)CC1(C)C) ...
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Standard InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41 ...
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Standard InChI Key KBPHJBAIARWVSC-RGZFRNHPSA-N

Structural Alerts

There are 8 structural alerts for CHEMBL173929. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL173929

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
568.9 568.428 9.47 10 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 11.52 11.52 0 42 0.2

Compound Cross References

ChemSpider ChemSpider:KBPHJBAIARWVSC-RGZFRNHPSA-N
PubChem SID: 144206147
Wikipedia Lutein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL173929



ChEBI 28838
FDA SRS X72A60C9MT
KEGG Ligand C08601
MolPort MolPort-023-220-417
Nikkaji J522.342C J5.394E J522.345H J522.344J J522.343A J522.341E
PubChem 5281243
PubChem: Thomson Pharma 15159922 14837751
SureChEMBL SCHEMBL19342

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