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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[ ...
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Standard InChI InChI=1S/C30H50O4/c1-18(10-9-14-26(2,3)34)19-13-15-29(7)25-2 ...
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Standard InChI Key WFULNIMUTJQIKF-HCLZVIJHSA-N

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:WFULNIMUTJQIKF-HCLZVIJHSA-N
Wikipedia Cucurbalsaminol_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1077876



PubChem 44607278
PubChem: Thomson Pharma 87357017

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