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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1077876
CHEMBL1077876
Compound Name CUCURBALSAMINOL A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H50O4

Additional synonyms for CHEMBL1077876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[ ...
Download SMILES
Standard InChI InChI=1S/C30H50O4/c1-18(10-9-14-26(2,3)34)19-13-15-29(7)25-2 ...
Download InChI
Standard InChI Key WFULNIMUTJQIKF-HCLZVIJHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1077876

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
474.7 474.3709 4.38 4 80.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.98 - 4.96 4.96 0 34 0.46

Structural Alerts

There are 2 structural alerts for CHEMBL1077876. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WFULNIMUTJQIKF-HCLZVIJHSA-N
Wikipedia Cucurbalsaminol_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1077876



EPA CompTox Dashboard DTXSID50659648
Nikkaji J2.801.204G
PubChem 44607278
PubChem: Thomson Pharma 87357017
ZINC ZINC000049771286

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