Glyucosylquestiomycin

Details

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Internal ID d5caf590-a60a-4ca4-8676-c49a3b5881d6
Taxonomy Organoheterocyclic compounds > Benzoxazines > Phenoxazines
IUPAC Name 2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenoxazin-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H18N2O7/c21-7-14-15(23)16(24)17(25)18(27-14)20-9-5-10-13(6-11(9)22)26-12-4-2-1-3-8(12)19-10/h1-6,14-18,20-21,23-25H,7H2
InChI Key UNVNSLUSIBJBHN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18N2O7
Molecular Weight 374.30 g/mol
Exact Mass 374.11140092 g/mol
Topological Polar Surface Area (TPSA) 141.00 Ų
XlogP -0.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Glyucosylquestiomycin

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 98.06% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.10% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 94.87% 94.73%
CHEMBL4040 P28482 MAP kinase ERK2 93.17% 83.82%
CHEMBL226 P30542 Adenosine A1 receptor 93.10% 95.93%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.01% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.24% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.64% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.33% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.79% 94.00%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 86.29% 87.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.82% 96.00%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 83.35% 95.83%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 81.32% 88.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.67% 99.17%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 80.43% 81.11%

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 85087978
LOTUS LTS0066317
wikiData Q77515606