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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL375563
CHEMBL375563
Compound Name
ChEMBL Synonyms 20(S)-Protopanaxadiol
Max Phase 0
Trade Names
Molecular Formula C30H52O3

Additional synonyms for CHEMBL375563 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@ ...
Download SMILES
Standard InChI InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(2 ...
Download InChI
Standard InChI Key PYXFVCFISTUSOO-HKUCOEKDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL375563

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
460.7 460.3916 6.5 4 60.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 1 3 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.01 7.01 0 33 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL375563. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PYXFVCFISTUSOO-HKUCOEKDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL375563



BindingDB 50423990
Brenda 19767
ChEBI 75950
eMolecules 26985637 31430436
Metabolights MTBLC75950
MolPort MolPort-029-945-682
Nikkaji J38.608A
PubChem 11213350
PubChem: Thomson Pharma 16295883
Rhea 75950
SureChEMBL SCHEMBL12935864
ZINC ZINC000008740122

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