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Dichotosin

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 f401f09d-4dec-40fc-9b48-e2bbf2081a6d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides
IUPAC Name (3S,4S,6S)-2-(hydroxymethyl)-6-[[(2S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]oxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H28O9/c1-28-13-5-3-12(4-6-13)16-8-7-15-17(30-16)9-14(29-2)10-18(15)31-23-22(27)21(26)20(25)19(11-24)32-23/h3-6,9-10,16,19-27H,7-8,11H2,1-2H3/t16-,19?,20+,21-,22?,23+/m0/s1
InChI Key MPDDNOZYQCUCDA-VXRMHVKASA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H28O9
Molecular Weight 448.50 g/mol
Exact Mass 448.17333247 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP 1.60

Synonyms

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CHEBI:166616
LMPK12020272
(3S,4S,6S)-2-(hydroxymethyl)-6-[[(2S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]oxane-3,4,5-triol

2D Structure

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2D Structure of Dichotosin

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 98.87% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.71% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 97.44% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.82% 95.89%
CHEMBL4208 P20618 Proteasome component C5 90.69% 90.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.39% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.73% 92.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.73% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.39% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.29% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.19% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.04% 86.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 81.67% 86.92%
CHEMBL2581 P07339 Cathepsin D 81.10% 98.95%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.84% 96.21%

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.
Hoppea dichotoma

Cross-Links

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PubChem 44257198
LOTUS LTS0220898
wikiData Q105169398