isopulegol   Click here for help

GtoPdb Ligand ID: 2462

Synonyms: coolact P
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 20.23
Molecular weight 154.14
XLogP 2.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1CCC(C(C1)O)C(=C)C
Isomeric SMILES C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C
InChI InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChI Key ZYTMANIQRDEHIO-KXUCPTDWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
Synonyms Click here for help
coolact P
Database Links Click here for help
CAS Registry No. 50373-36-9 (source: Scifinder)
ChEBI CHEBI:70479
ChEMBL Ligand CHEMBL237994
GtoPdb PubChem SID 135650123
PubChem CID 170833
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