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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

Structural Alerts

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

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

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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