1-o-(2,4-Dihydroxy-6-methylbenzoyl)-glycerol

Details

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Internal ID 9761f8cc-2167-4bb8-8c1b-3d9aec9220c5
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters
IUPAC Name 2,3-dihydroxypropyl 2,4-dihydroxy-6-methylbenzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14O6/c1-6-2-7(13)3-9(15)10(6)11(16)17-5-8(14)4-12/h2-3,8,12-15H,4-5H2,1H3
InChI Key FUTKBYODICXHRE-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O6
Molecular Weight 242.22 g/mol
Exact Mass 242.07903816 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 0.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-o-(2,4-Dihydroxy-6-methylbenzoyl)-glycerol

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 94.25% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.26% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.39% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 90.84% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.91% 99.17%
CHEMBL1929 P47989 Xanthine dehydrogenase 85.40% 96.12%
CHEMBL4208 P20618 Proteasome component C5 84.75% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.59% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.64% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.04% 93.65%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.34% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.04% 95.56%
CHEMBL3194 P02766 Transthyretin 81.93% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.87% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.86% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.05% 95.50%

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 78088469
LOTUS LTS0083121
wikiData Q104166800