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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124518
CHEMBL124518
Compound Name PHORBOL
ChEMBL Synonyms Phorbol
Max Phase 0
Trade Names
Molecular Formula C20H28O6

Additional synonyms for CHEMBL124518 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H ...
Download SMILES
Standard InChI InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14- ...
Download InChI
Standard InChI Key QGVLYPPODPLXMB-UBTYZVCOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL124518

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
364.4 364.1886 -0.07 1 118.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.36 - .96 .96 0 26 0.42

Structural Alerts

There are 4 structural alerts for CHEMBL124518. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGVLYPPODPLXMB-UBTYZVCOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124518



ACToR 17673-25-5
ChEBI 8116
EPA CompTox Dashboard DTXSID2021155
FDA SRS XUZ76S9127
IBM Patent System 1677587FD98CC8D2A18D1DA914A20582
KEGG Ligand C09155
LipidMaps LMPR0104330001
MolPort MolPort-035-920-598
Nikkaji J9.694F
PubChem 442070
PubChem: Thomson Pharma 16136770 16330113
SureChEMBL SCHEMBL14937
ZINC ZINC000004097928

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