3,7-Dimethyl-2,6-octadien-1-ol

Details

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Internal ID db3d87d4-3069-40c8-8e98-d5fd31df47fc
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name 3,7-dimethylocta-2,6-dien-1-ol
SMILES (Canonical) CC(=CCCC(=CCO)C)C
SMILES (Isomeric) CC(=CCCC(=CCO)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
InChI Key GLZPCOQZEFWAFX-UHFFFAOYSA-N
Popularity 653 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O
Molecular Weight 154.25 g/mol
Exact Mass 154.135765193 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.90

Synonyms

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3,7-dimethylocta-2,6-dien-1-ol
68311-14-8
3,7-Dimethyl-2,6-octadienol
1-Octanol, 3,7-dimethyl-, tetradehydro deriv.
Geraniol,(S)
Spectrum_000401
Spectrum2_000784
Spectrum3_001450
Spectrum4_000441
NCIStruc1_000041
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3,7-Dimethyl-2,6-octadien-1-ol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.22% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.66% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.91% 91.11%
CHEMBL2581 P07339 Cathepsin D 81.54% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.58% 99.17%

Cross-Links

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PubChem 4458
LOTUS LTS0215566
wikiData Q27109834