[2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-phenylpropanoate

Details

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Internal ID eed2d935-3a0e-4a91-b157-0c108d98bd6b
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
IUPAC Name [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-phenylpropanoate
SMILES (Canonical) CC(C1=CC=CC=C1)C(=O)OC2C(C(C(OC2O)CO)O)O
SMILES (Isomeric) CC(C1=CC=CC=C1)C(=O)OC2C(C(C(OC2O)CO)O)O
InChI InChI=1S/C15H20O7/c1-8(9-5-3-2-4-6-9)14(19)22-13-12(18)11(17)10(7-16)21-15(13)20/h2-6,8,10-13,15-18,20H,7H2,1H3
InChI Key OMTUTBBMQLYDPD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O7
Molecular Weight 312.31 g/mol
Exact Mass 312.12090297 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 0.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-phenylpropanoate

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 97.22% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 97.10% 90.17%
CHEMBL2581 P07339 Cathepsin D 95.26% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.70% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 90.14% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.59% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.92% 95.56%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 86.89% 94.23%
CHEMBL5028 O14672 ADAM10 85.60% 97.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.29% 99.17%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 84.98% 94.08%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.62% 94.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.52% 86.33%
CHEMBL226 P30542 Adenosine A1 receptor 83.46% 95.93%

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

Cross-Links

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PubChem 162872591
LOTUS LTS0129216
wikiData Q105194506