Oct-1,5-dien-3-ol

Details

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Internal ID b0f05c21-10f8-4568-bceb-4a704a6c601c
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name octa-1,5-dien-3-ol
SMILES (Canonical) CCC=CCC(C=C)O
SMILES (Isomeric) CCC=CCC(C=C)O
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3
InChI Key APFBWMGEGSELQP-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C8H14O
Molecular Weight 126.20 g/mol
Exact Mass 126.104465066 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.00

Synonyms

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oct-1,5-dien-3-ol
DTXSID301003967

2D Structure

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2D Structure of Oct-1,5-dien-3-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.81% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.10% 98.95%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 87.50% 97.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.20% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.32% 97.29%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.89% 96.61%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Medicago sativa

Cross-Links

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PubChem 205986
LOTUS LTS0042324
wikiData Q82998724