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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1369384
CHEMBL1369384
Compound Name GERANYL ACETATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H20O2

Additional synonyms for CHEMBL1369384 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\COC(=O)C)\C)C
Standard InChI InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5, ...
Download InChI
Standard InChI Key HIGQPQRQIQDZMP-DHZHZOJOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1369384

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
196.3 196.1463 3.24 5 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.9 3.9 0 14 0.5

Structural Alerts

There are 4 structural alerts for CHEMBL1369384. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIGQPQRQIQDZMP-DHZHZOJOSA-N
PubChem SID: 144209287 SID: 144210673 SID: 17388990 SID: 26752994 SID: 56462776

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1369384



ACToR 105-87-3 130396-85-9 33843-18-4 68311-13-7 141-12-8
BindingDB 50037025
Brenda 120614 13630
ChEBI 5331
ChemicalBook CB5334054
eMolecules 485315
EPA CompTox Dashboard DTXSID0020654
FDA SRS 3W81YG7P9R
IBM Patent System D9EBA76174E9575334B77EF496749F49
KEGG Ligand C09861
LipidMaps LMFA07010189
Metabolights MTBLC5331
MolPort MolPort-003-855-596
Nikkaji J46.477E J4.032K
PubChem 1549026
PubChem: Thomson Pharma 15213367
SureChEMBL SCHEMBL56913
ZINC ZINC000001531610

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