Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate

Details

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Internal ID 1e33d57d-f5d3-4249-9a22-12923835799b
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
IUPAC Name hydron;2-hydroxypropane-1,2,3-tricarboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key KRKNYBCHXYNGOX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C6H8O7
Molecular Weight 192.12 g/mol
Exact Mass 192.02700259 g/mol
Topological Polar Surface Area (TPSA) 141.00 Ų
XlogP 0.00

Synonyms

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106168-20-1
106809-03-4
125139-08-4
125139-09-5
153301-06-5
16922-05-7
SCHEMBL445486
SEA14805
Hexanedioic acid, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione and 2,2-oxybisethanol, 2-propenoate
Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate

2D Structure

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2D Structure of Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate

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 86.60% 96.09%

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 19782904
NPASS NPC293378
ChEMBL CHEMBL1261