(3S,6S)-dec-4-yne-1,3,6-triol

Details

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Internal ID 62dfc0de-02b8-402b-a27f-4729846f7dd2
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (3S,6S)-dec-4-yne-1,3,6-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H18O3/c1-2-3-4-9(12)5-6-10(13)7-8-11/h9-13H,2-4,7-8H2,1H3/t9-,10+/m0/s1
InChI Key DLCTXXKSBPVAJA-VHSXEESVSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O3
Molecular Weight 186.25 g/mol
Exact Mass 186.125594432 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3S,6S)-dec-4-yne-1,3,6-triol

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
CHEMBL2581 P07339 Cathepsin D 94.83% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.68% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 92.53% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 91.89% 92.86%
CHEMBL1907 P15144 Aminopeptidase N 90.71% 93.31%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 87.26% 91.81%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.95% 99.17%
CHEMBL2885 P07451 Carbonic anhydrase III 85.67% 87.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.68% 93.56%
CHEMBL4105838 Q96GG9 DCN1-like protein 1 83.94% 95.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.16% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 81.94% 97.79%
CHEMBL268 P43235 Cathepsin K 81.90% 96.85%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.30% 97.25%
CHEMBL299 P17252 Protein kinase C alpha 81.20% 98.03%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.53% 96.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 11819771
LOTUS LTS0228050
wikiData Q104984158