3,7-Dimethylocta-2,7-diene-1,6-diol

Details

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Internal ID 96e03fdd-241f-44fa-af34-992597b9c24d
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 3,7-dimethylocta-2,7-diene-1,6-diol
SMILES (Canonical) CC(=C)C(CCC(=CCO)C)O
SMILES (Isomeric) CC(=C)C(CCC(=CCO)C)O
InChI InChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3
InChI Key FRUCUVNBDSNCEC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O2
Molecular Weight 170.25 g/mol
Exact Mass 170.130679813 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.90

Synonyms

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1786-09-0
DTXSID00775685

2D Structure

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2D Structure of 3,7-Dimethylocta-2,7-diene-1,6-diol

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 89.94% 96.09%
CHEMBL2581 P07339 Cathepsin D 85.76% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.21% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.67% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.11% 97.29%

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.
Chiliadenus montanus

Cross-Links

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PubChem 71349850
LOTUS LTS0100472
wikiData Q82737218