(3S,9R,10R)-Panaxytriol

Details

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Internal ID 41cf12dd-6fc0-42c3-b6c0-4f2401160221
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name (3S,9R,10R)-heptadec-1-en-4,6-diyne-3,9,10-triol
SMILES (Canonical) CCCCCCCC(C(CC#CC#CC(C=C)O)O)O
SMILES (Isomeric) CCCCCCC[C@H]([C@@H](CC#CC#C[C@H](C=C)O)O)O
InChI InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3/t15-,16+,17+/m0/s1
InChI Key RDIMTXDFGHNINN-GVDBMIGSSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H26O3
Molecular Weight 278.40 g/mol
Exact Mass 278.18819469 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 3.50

Synonyms

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CHEBI:67998
Q27136481
(3S,9R,10R)-heptadec-1-en-4,6-diyne-3,9,10-triol

2D Structure

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2D Structure of (3S,9R,10R)-Panaxytriol

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
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 95.72% 92.86%
CHEMBL2581 P07339 Cathepsin D 95.54% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.82% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.77% 85.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.43% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.28% 92.08%
CHEMBL2885 P07451 Carbonic anhydrase III 90.96% 87.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.77% 99.17%
CHEMBL2996 Q05655 Protein kinase C delta 86.36% 97.79%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 86.33% 91.81%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.75% 100.00%
CHEMBL1907 P15144 Aminopeptidase N 85.49% 93.31%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.97% 93.56%
CHEMBL230 P35354 Cyclooxygenase-2 83.81% 89.63%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 82.71% 95.58%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.39% 100.00%
CHEMBL256 P0DMS8 Adenosine A3 receptor 81.85% 95.93%
CHEMBL3401 O75469 Pregnane X receptor 80.74% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.30% 91.11%

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.
Panax ginseng
Panax japonicus

Cross-Links

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PubChem 10707741
NPASS NPC136119
LOTUS LTS0051469
wikiData Q27136481