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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501255
CHEMBL501255
Compound Name ABSINTHIN
ChEMBL Synonyms Absinthin
Max Phase 0
Trade Names
Molecular Formula C30H40O6

Additional synonyms for CHEMBL501255 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@@H]5C=C(C)[C@@]6([ ...
Download SMILES
Standard InChI InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8 ...
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Standard InChI Key PZHWYURJZAPXAN-JAJHBKHXSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL501255

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
496.6 496.2825 3.11 0 0 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - 2.88 2.88 0 36 2 0.4

Compound Cross References

ChemSpider ChemSpider:PZHWYURJZAPXAN-JAJHBKHXSA-N
Wikipedia Absinthin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501255



PubChem 73610

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