geraniol   

GtoPdb Ligand ID: 2467

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 20.23
Molecular weight 154.14
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC=C(CCC=C(C)C)C
Isomeric SMILES OC/C=C(/CCC=C(C)C)\C
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChI Key GLZPCOQZEFWAFX-JXMROGBWSA-N
Classification
Compound class Natural product or derivative
IUPAC Name
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Database Links
CAS Registry No. 106-24-1 (source: ChEBI)
ChEBI CHEBI:17447
ChEMBL Ligand CHEMBL25719
GtoPdb PubChem SID 135650302
PubChem CID 637566
RCSB PDB Ligand 64Z
Search Google for chemical match using the InChIKey GLZPCOQZEFWAFX-JXMROGBWSA-N
Search Google for chemicals with the same backbone GLZPCOQZEFWAFX
Search UniChem for chemical match using the InChIKey GLZPCOQZEFWAFX-JXMROGBWSA-N
Search UniChem for chemicals with the same backbone GLZPCOQZEFWAFX
Wikipedia Geraniol