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5-[4-[6-[4-[6-[2,6-Dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,3,4-trihydroxyphenoxy]-2,3-dihydroxyphenoxy]-4-[4-[2-[4-[2-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenoxy)phenoxy]phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 46cff862-9cff-4a18-9d97-33304e5dcf8e
Taxonomy Phenylpropanoids and polyketides > Tannins
IUPAC Name 5-[4-[6-[4-[6-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,3,4-trihydroxyphenoxy]-2,3-dihydroxyphenoxy]-4-[4-[2-[4-[2-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenoxy)phenoxy]phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C84H58O49/c85-23-5-36(93)73(37(94)6-23)121-24-7-38(95)74(39(96)8-24)129-52-18-31(88)59(107)68(116)80(52)124-28-15-46(103)78(47(104)16-28)133-56-22-35(92)63(111)72(120)84(56)128-50-4-3-48(65(113)66(50)114)126-51-17-30(87)58(106)67(115)79(51)122-25-9-40(97)75(41(98)10-25)130-53-19-32(89)60(108)69(117)81(53)123-26-11-42(99)76(43(100)12-26)131-54-20-33(90)61(109)70(118)82(54)125-27-13-44(101)77(45(102)14-27)132-55-21-34(91)62(110)71(119)83(55)127-49-2-1-29(86)57(105)64(49)112/h1-22,85-120H
InChI Key ARAJPCPMZBLGHA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C84H58O49
Molecular Weight 1851.30 g/mol
Exact Mass 1850.2046682 g/mol
Topological Polar Surface Area (TPSA) 848.00 Ų
XlogP 9.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[4-[6-[4-[6-[2,6-Dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,3,4-trihydroxyphenoxy]-2,3-dihydroxyphenoxy]-4-[4-[2-[4-[2-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenoxy)phenoxy]phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-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
CHEMBL1860 P10827 Thyroid hormone receptor alpha 98.08% 99.15%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.77% 91.11%
CHEMBL3194 P02766 Transthyretin 96.39% 90.71%
CHEMBL1929 P47989 Xanthine dehydrogenase 93.03% 96.12%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.23% 94.00%
CHEMBL4208 P20618 Proteasome component C5 91.14% 90.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 89.18% 95.78%
CHEMBL1951 P21397 Monoamine oxidase A 88.79% 91.49%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.05% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.01% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 82.67% 90.20%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.75% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.35% 95.56%
CHEMBL2104 Q99571 P2X purinoceptor 4 80.20% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 163196164
LOTUS LTS0217772
wikiData Q104917194