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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL464651
CHEMBL464651
Compound Name
ChEMBL Synonyms (12E,20Z,18S)-8-Hydroxyvariabilin
Max Phase 0
Trade Names
Molecular Formula C25H36O5

Additional synonyms for CHEMBL464651 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](CCC\C(=C\CCC(C)(O)CCCc1cocc1)\C)\C=C\2/OC(=O)C(=C2O) ...
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Standard InChI InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30 ...
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Standard InChI Key QFBUNOKEKXMSCV-UYYPKTQPSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL464651. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL464651

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
416.6 416.2563 5.78 12 79.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 4.95 2.15 1 30 0.33

Compound Cross References

ChemSpider ChemSpider:QFBUNOKEKXMSCV-UYYPKTQPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL464651



Guide to Pharmacology 4072
PubChem 54726845

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