2-[2-(3,5-Dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-4,6-bis(2,4,6-trihydroxyphenyl)benzene-1,3,5-triol

Details

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Internal ID 2e8192ae-49c3-46b8-9a88-7e7be19203dc
Taxonomy Benzenoids > Benzene and substituted derivatives > Terphenyls > M-terphenyls
IUPAC Name 2-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-4,6-bis(2,4,6-trihydroxyphenyl)benzene-1,3,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H22O15/c31-10-1-11(32)3-15(2-10)44-29-20(40)8-14(35)9-21(29)45-30-27(42)24(22-16(36)4-12(33)5-17(22)37)26(41)25(28(30)43)23-18(38)6-13(34)7-19(23)39/h1-9,31-43H
InChI Key JHJUHJDIYOJZOX-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C30H22O15
Molecular Weight 622.50 g/mol
Exact Mass 622.09586999 g/mol
Topological Polar Surface Area (TPSA) 281.00 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[2-(3,5-Dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-4,6-bis(2,4,6-trihydroxyphenyl)benzene-1,3,5-triol

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 97.60% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.94% 99.15%
CHEMBL3194 P02766 Transthyretin 93.65% 90.71%
CHEMBL4208 P20618 Proteasome component C5 89.80% 90.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 87.35% 96.12%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.02% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.70% 99.17%
CHEMBL2104 Q99571 P2X purinoceptor 4 80.49% 97.50%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 80.46% 92.68%

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 162957723
LOTUS LTS0084898
wikiData Q105128017