[3-Hydroxy-2,5-bis(4-hydroxyphenyl)-6-methyl-4-(2-phenylacetyl)oxyphenyl] 2-phenylacetate

Details

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Internal ID fbda1d53-edd2-47c1-a4e9-75617d60c6b2
Taxonomy Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls
IUPAC Name [3-hydroxy-2,5-bis(4-hydroxyphenyl)-6-methyl-4-(2-phenylacetyl)oxyphenyl] 2-phenylacetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C35H28O7/c1-22-31(25-12-16-27(36)17-13-25)35(42-30(39)21-24-10-6-3-7-11-24)33(40)32(26-14-18-28(37)19-15-26)34(22)41-29(38)20-23-8-4-2-5-9-23/h2-19,36-37,40H,20-21H2,1H3
InChI Key UQSDTOQQDUSQDH-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C35H28O7
Molecular Weight 560.60 g/mol
Exact Mass 560.18350323 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP 7.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [3-Hydroxy-2,5-bis(4-hydroxyphenyl)-6-methyl-4-(2-phenylacetyl)oxyphenyl] 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 97.87% 98.95%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 96.29% 91.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 90.60% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.03% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.72% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.58% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.43% 86.33%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 86.96% 95.64%
CHEMBL3401 O75469 Pregnane X receptor 86.74% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.66% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.69% 94.62%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 84.12% 92.67%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.83% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.46% 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 162965408
LOTUS LTS0207990
wikiData Q105283177