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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL518765
CHEMBL518765
Compound Name CEMBRENE_A
ChEMBL Synonyms Cembrene A
Max Phase 0
Trade Names
Molecular Formula C20H32

Additional synonyms for CHEMBL518765 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)[C@@H]1CC\C(=C\CC\C(=C\CC\C(=C\C1)\C)\C)\C
Standard InChI InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19( ...
Download InChI
Standard InChI Key VWSPQDDPRITBAM-KPGNMOGWSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL518765

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
272.5 272.2504 7.16 1 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.93 8.93 0 20 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL518765. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VWSPQDDPRITBAM-KPGNMOGWSA-N
Wikipedia Cembrene_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL518765



ChEBI 7501 82800
eMolecules 36092075
FDA SRS 2WGK4P4230
KEGG Ligand C09140
Nikkaji J18.005J
PubChem 5281384
PubChem: Thomson Pharma 16121499
SureChEMBL SCHEMBL2041140

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