[2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)-4-methoxyphenyl] 2-phenylacetate

Details

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Internal ID c87b37e3-8d73-4ef0-a9c5-e2040a46431b
Taxonomy Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls
IUPAC Name [2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-methoxyphenyl] 2-phenylacetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H22O7/c1-33-26-22(17-7-11-19(28)12-8-17)25(32)27(34-21(30)15-16-5-3-2-4-6-16)23(24(26)31)18-9-13-20(29)14-10-18/h2-14,28-29,31-32H,15H2,1H3
InChI Key GGGDFTVXSIUASA-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C27H22O7
Molecular Weight 458.50 g/mol
Exact Mass 458.13655304 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 5.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)-4-methoxyphenyl] 2-phenylacetate

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
CHEMBL2581 P07339 Cathepsin D 97.03% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 94.13% 91.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.70% 95.50%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 91.56% 95.64%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.33% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.80% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.22% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.01% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.44% 91.11%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.94% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.70% 99.15%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 83.37% 94.62%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 82.06% 92.67%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.50% 94.00%

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 162962314
LOTUS LTS0021128
wikiData Q105008029