(3,4,5-Trihydroxy-6-methyloxan-2-yl) 6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenazine-1-carboxylate

Details

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Internal ID c103015a-f52e-493e-9735-c08aea16a175
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name (3,4,5-trihydroxy-6-methyloxan-2-yl) 6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenazine-1-carboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H28N2O11/c1-9-17(28)19(30)21(32)24(35-9)37-14-8-4-7-13-16(14)27-12-6-3-5-11(15(12)26-13)23(34)38-25-22(33)20(31)18(29)10(2)36-25/h3-10,17-22,24-25,28-33H,1-2H3
InChI Key NWTDQEJBZQIDSM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H28N2O11
Molecular Weight 532.50 g/mol
Exact Mass 532.16930971 g/mol
Topological Polar Surface Area (TPSA) 201.00 Ų
XlogP -0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3,4,5-Trihydroxy-6-methyloxan-2-yl) 6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenazine-1-carboxylate

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
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.41% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.69% 96.09%
CHEMBL3714130 P46095 G-protein coupled receptor 6 94.22% 97.36%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.40% 94.00%
CHEMBL2581 P07339 Cathepsin D 92.35% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.28% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 92.09% 94.73%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 88.73% 81.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.12% 91.11%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 84.99% 83.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.97% 95.56%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.03% 100.00%
CHEMBL2535 P11166 Glucose transporter 82.00% 98.75%

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 78097910
LOTUS LTS0102830
wikiData Q104180092