Cytosaminomycin B

Details

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Internal ID 0c71228e-4a63-4ca7-8590-6eacc91eab0c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides
IUPAC Name N-[1-[(2R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-(methylamino)benzamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H37N5O8/c1-13-20(30(4)5)21(33)22(34)25(38-13)39-23-14(2)37-19(12-17(23)32)31-11-10-18(29-26(31)36)28-24(35)15-6-8-16(27-3)9-7-15/h6-11,13-14,17,19-23,25,27,32-34H,12H2,1-5H3,(H,28,29,35,36)/t13-,14-,17-,19-,20-,21+,22-,23-,25-/m1/s1
InChI Key UFIWZSNSJFCLAC-KYFRGEGWSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C26H37N5O8
Molecular Weight 547.60 g/mol
Exact Mass 547.26421316 g/mol
Topological Polar Surface Area (TPSA) 165.00 Ų
XlogP 0.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cytosaminomycin B

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
CHEMBL1293277 O15118 Niemann-Pick C1 protein 97.31% 81.11%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 95.43% 87.67%
CHEMBL1951 P21397 Monoamine oxidase A 95.24% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.18% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.83% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.54% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.15% 99.23%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 91.86% 93.10%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 91.78% 95.83%
CHEMBL3401 O75469 Pregnane X receptor 91.75% 94.73%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 90.93% 98.99%
CHEMBL1974 P36888 Tyrosine-protein kinase receptor FLT3 90.68% 91.83%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 90.59% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.70% 89.00%
CHEMBL340 P08684 Cytochrome P450 3A4 89.53% 91.19%
CHEMBL4072 P07858 Cathepsin B 88.40% 93.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.82% 99.17%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 85.66% 96.90%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 84.26% 94.42%
CHEMBL2179 P04062 Beta-glucocerebrosidase 83.60% 85.31%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.39% 94.33%
CHEMBL4530 P00488 Coagulation factor XIII 82.64% 96.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.62% 100.00%
CHEMBL4208 P20618 Proteasome component C5 82.59% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.29% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.17% 95.89%
CHEMBL3714130 P46095 G-protein coupled receptor 6 80.91% 97.36%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.15% 95.89%

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 10325187
LOTUS LTS0164021
wikiData Q105271896