[3,5-Diacetyloxy-4-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl] acetate

Details

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Internal ID 9eabf68d-6273-4544-85ae-c4b5895de09f
Taxonomy Benzenoids > Benzene and substituted derivatives > Terphenyls > M-terphenyls
IUPAC Name [3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C36H32O18/c1-15(37)46-24-10-26(48-17(3)39)32(27(11-24)49-18(4)40)34-30(52-21(7)43)14-31(53-22(8)44)35(36(34)54-23(9)45)33-28(50-19(5)41)12-25(47-16(2)38)13-29(33)51-20(6)42/h10-14H,1-9H3
InChI Key XZZXEUMXZLVVRO-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C36H32O18
Molecular Weight 752.60 g/mol
Exact Mass 752.15886417 g/mol
Topological Polar Surface Area (TPSA) 237.00 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [3,5-Diacetyloxy-4-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl] acetate

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.26% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.41% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.26% 99.17%
CHEMBL2581 P07339 Cathepsin D 85.78% 98.95%
CHEMBL4208 P20618 Proteasome component C5 84.57% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.38% 86.33%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 83.33% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.09% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.88% 95.56%

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 101938428
LOTUS LTS0136566
wikiData Q105345270