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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1172615
CHEMBL1172615
Compound Name BIXIN
ChEMBL Synonyms E160b
Max Phase 0
Trade Names
Molecular Formula C25H30O4

Additional synonyms for CHEMBL1172615 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)\C=C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)O ...
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Standard InChI InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-1 ...
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Standard InChI Key RAFGELQLHMBRHD-SLEZCNMESA-N

Structural Alerts

There are 12 structural alerts for CHEMBL1172615. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1172615

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
394.5 394.2144 5.79 11 63.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.69 - 6.17 3.5 0 29 0.27

Compound Cross References

ChemSpider ChemSpider:RAFGELQLHMBRHD-SLEZCNMESA-N
Wikipedia Bixin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1172615



ChEBI 3136
eMolecules 29479149
FDA SRS 9L7T4VB66G
Human Metabolome Database HMDB35317
KEGG Ligand C08582
Nikkaji J9.821C
PubChem 5281226
PubChem: Thomson Pharma 16125291
SureChEMBL SCHEMBL9939959

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