Streptoxamine

Details

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Internal ID 1f585921-5077-4fc3-9024-5a0a8e7f898c
Taxonomy Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones
IUPAC Name N-[5-[3-[6-[acetyl(hydroxy)amino]hexanoylamino]propanoyl-hydroxyamino]pentyl]-N'-[5-(5,7-dihydroxy-6-methoxy-3-methyl-4,9-dioxobenzo[f]isoindol-2-yl)pentyl]-N'-hydroxybutanediamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C39H56N6O13/c1-25-34-28(36(52)27-23-29(47)39(58-3)38(54)35(27)37(34)53)24-42(25)19-9-6-12-22-44(56)32(50)15-14-31(49)40-17-8-5-11-21-45(57)33(51)16-18-41-30(48)13-7-4-10-20-43(55)26(2)46/h23-24,47,54-57H,4-22H2,1-3H3,(H,40,49)(H,41,48)
InChI Key BWECLXDTOLWLAB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C39H56N6O13
Molecular Weight 816.90 g/mol
Exact Mass 816.39053586 g/mol
Topological Polar Surface Area (TPSA) 269.00 Ų
XlogP 0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Streptoxamine

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
CHEMBL2581 P07339 Cathepsin D 99.54% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.56% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.69% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.97% 99.17%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 92.67% 85.49%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 92.33% 97.21%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.22% 99.23%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 92.06% 95.17%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.05% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.69% 95.56%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.62% 90.24%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.51% 94.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 88.60% 93.10%
CHEMBL3401 O75469 Pregnane X receptor 88.42% 94.73%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 87.72% 96.25%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.38% 96.00%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 87.28% 95.34%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 86.68% 95.64%
CHEMBL1937 Q92769 Histone deacetylase 2 85.87% 94.75%
CHEMBL2535 P11166 Glucose transporter 85.43% 98.75%
CHEMBL5255 O00206 Toll-like receptor 4 85.32% 92.50%
CHEMBL4208 P20618 Proteasome component C5 85.30% 90.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 85.13% 92.68%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.69% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 83.87% 90.08%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 83.44% 82.38%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.29% 94.33%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.74% 95.89%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.64% 94.42%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.82% 96.90%

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 146684359
LOTUS LTS0057449
wikiData Q104947149