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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1519371
CHEMBL1519371
Compound Name CAPSANTHIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H56O3

Additional synonyms for CHEMBL1519371 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/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41 ...
Download InChI
Standard InChI Key VYIRVAXUEZSDNC-RDJLEWNRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1519371

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
584.9 584.4229 9.81 11 57.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 2 3 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.47 9.47 0 43 0.19

Structural Alerts

There are 12 structural alerts for CHEMBL1519371. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VYIRVAXUEZSDNC-RDJLEWNRSA-N
PubChem SID: 26755248

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1519371



ACToR 465-42-9
Brenda 35031
CarotenoidDB CA00739
ChEBI 3375
eMolecules 28205849
FDA SRS 420NY1J57N
KEGG Ligand C08584
LipidMaps LMPR01070265
Metabolights MTBLC3375
Nikkaji J5.891B
PubChem 5281228
PubChem: Thomson Pharma 15217654
Rhea 3375
SureChEMBL SCHEMBL117691
ZINC ZINC000008221201

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