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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL478589
CHEMBL478589
Compound Name GERANYLGERANIOL
ChEMBL Synonyms Geranylgeraniol
Max Phase 0
Trade Names
Molecular Formula C20H34O

Additional synonyms for CHEMBL478589 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CO)\C)\C)\C)C
Standard InChI InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20 ...
Download InChI
Standard InChI Key OJISWRZIEWCUBN-QIRCYJPOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL478589

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
290.5 290.261 6.12 10 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.71 6.71 0 21 0.48

Structural Alerts

There are 2 structural alerts for CHEMBL478589. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OJISWRZIEWCUBN-QIRCYJPOSA-N
PubChem SID: 125082056 SID: 26750086 SID: 26753789

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL478589



ACToR 24034-73-9 7614-21-3
Brenda 95459 3000
ChEBI 46762
ChemicalBook CB5120277
eMolecules 538686
FDA SRS AIA02AJA3A
KEGG Ligand C09094
LINCS LSM-43247
LipidMaps LMPR0104010009
Metabolights MTBLC46762
MolPort MolPort-003-665-772
Nikkaji J133.911G J31.341F
PubChem 5281365
PubChem: Thomson Pharma 14922512
Rhea 46762
SureChEMBL SCHEMBL19228636 SCHEMBL127330 SCHEMBL17329302
ZINC ZINC000001531391

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