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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL368741
CHEMBL368741
Compound Name TAXUSIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H40O8

Additional synonyms for CHEMBL368741 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@H]1C[C@H]2C[C@@H]3C(=C)[C@H](CC[C@@]3(C)[C@@H](OC( ...
Download SMILES
Standard InChI InChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27 ...
Download InChI
Standard InChI Key SKJSIVQEPKBFTJ-HUWILPJBSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL368741

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
504.6 504.2723 4.45 4 105.2 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 1 8 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.41 4.41 0 36 0.31

Structural Alerts

There are 4 structural alerts for CHEMBL368741. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SKJSIVQEPKBFTJ-HUWILPJBSA-N
PubChem SID: 26725256

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL368741



ACToR 19605-80-2
Brenda 86828 86248
ChEBI 63664
Metabolights MTBLC63664
Nikkaji J148.880E
PubChem 167825
PubChem: Thomson Pharma 16115085 14986194 16151354
Rhea 63664
SureChEMBL SCHEMBL6017679

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