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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 ...
Download InChI
Standard InChI Key PZHWYURJZAPXAN-JAJHBKHXSA-N

Sources

  • Scientific Literature

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 #Rotatable Bonds Polar Surface Area Molecular Species
496.6 496.2825 3.8 0 93.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.88 2.88 0 36 0.39

Structural Alerts

There are 2 structural alerts for CHEMBL501255. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PZHWYURJZAPXAN-JAJHBKHXSA-N
Wikipedia Absinthin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501255



Nikkaji J31.882E
PubChem 73610
ZINC ZINC000101672486

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