3,5-Dihydroxyphthalic acid

Details

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Internal ID 00c23f2e-cfbf-4c3e-9425-79fea3012430
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
IUPAC Name 3,5-dihydroxyphthalic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H6O6/c9-3-1-4(7(11)12)6(8(13)14)5(10)2-3/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key BMNZPIHTZJNWOV-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C8H6O6
Molecular Weight 198.13 g/mol
Exact Mass 198.01643791 g/mol
Topological Polar Surface Area (TPSA) 115.00 Ų
XlogP 0.80

Synonyms

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Phthalic acid, 3,5-dihydroxy-
3209-07-2
SCHEMBL2127547
DTXSID40185885

2D Structure

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2D Structure of 3,5-Dihydroxyphthalic acid

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
CHEMBL3194 P02766 Transthyretin 92.59% 90.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.36% 91.11%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 88.74% 94.42%
CHEMBL1929 P47989 Xanthine dehydrogenase 86.69% 96.12%
CHEMBL1811 P34995 Prostanoid EP1 receptor 85.04% 95.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.32% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.98% 96.09%
CHEMBL4208 P20618 Proteasome component C5 82.71% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.13% 99.15%
CHEMBL2581 P07339 Cathepsin D 81.51% 98.95%

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.
There are no matching plants.

Cross-Links

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PubChem 3083792
LOTUS LTS0216997
wikiData Q83057037