Streptomyces antibiotic

Details

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Internal ID 3e696d4f-023b-4c2c-af87-a7a458b84db5
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C56H68N10O14S2/c1-11-29(4)82-52-43-51(76)66(10)56(23-28(56)3)54(78)80-25-36(61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41)44(69)57-30(5)48(73)63(7)38(26-81-52)50(75)65(9)55(22-27(55)2)53(77)79-24-37(45(70)58-31(6)49(74)64(43)8)62-47(72)42-40(68)21-33-17-13-15-19-35(33)60-42/h12-21,27-31,36-38,43,52,67-68H,11,22-26H2,1-10H3,(H,57,69)(H,58,70)(H,61,71)(H,62,72)
InChI Key VABRZWDEEDQLRD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C56H68N10O14S2
Molecular Weight 1169.30 g/mol
Exact Mass 1168.43578923 g/mol
Topological Polar Surface Area (TPSA) 367.00 Ų
XlogP 5.30

Synonyms

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120763-23-7
NSC630678
Streptomyces antibiotic UK-63052
UK 63,052
UK-63052
Antibiotic UK-63052
Neuro_000276
STREPTOMYCES ANTIBIOTIC
CHEMBL1988760
NSC-630678
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Streptomyces antibiotic

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.29% 96.09%
CHEMBL2581 P07339 Cathepsin D 98.62% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.49% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.00% 99.23%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 93.71% 93.10%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 92.71% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.56% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.46% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.01% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.91% 94.00%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 86.70% 85.11%
CHEMBL4208 P20618 Proteasome component C5 86.56% 90.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 86.08% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 83.39% 94.73%
CHEMBL255 P29275 Adenosine A2b receptor 81.84% 98.59%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.51% 96.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.44% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.41% 86.33%
CHEMBL4531 P17931 Galectin-3 81.40% 96.90%
CHEMBL2535 P11166 Glucose transporter 81.21% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.10% 93.40%

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 149070
LOTUS LTS0129496
wikiData Q105282603