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Mycinamicin V

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 9f44aae4-812d-4dc6-b514-cac0257dbf9b
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides
IUPAC Name (3E,5S,6S,7S,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILES (Canonical) CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C(C(C(C(O3)C)O)OC)OC)O
SMILES (Isomeric) CC[C@@H]1[C@](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O
InChI InChI=1S/C37H61NO12/c1-11-28-37(43,20-46-36-34(45-10)33(44-9)30(41)25(6)48-36)17-13-12-14-27(39)22(3)18-23(4)32(21(2)15-16-29(40)49-28)50-35-31(42)26(38(7)8)19-24(5)47-35/h12-17,21-26,28,30-36,41-43H,11,18-20H2,1-10H3/b14-12+,16-15+,17-13+/t21-,22+,23-,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+,37-/m0/s1
InChI Key YZYNKVRRUWKKRX-JGPZLTFNSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C37H61NO12
Molecular Weight 711.90 g/mol
Exact Mass 711.41937638 g/mol
Topological Polar Surface Area (TPSA) 163.00 Ų
XlogP 3.00

Synonyms

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73684-72-7
MYV
C18847
Q27463615

2D Structure

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2D Structure of Mycinamicin V

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 98.82% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.60% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.65% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 91.24% 92.94%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 90.98% 96.77%
CHEMBL221 P23219 Cyclooxygenase-1 90.53% 90.17%
CHEMBL230 P35354 Cyclooxygenase-2 90.45% 89.63%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.26% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.98% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.90% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.61% 95.56%
CHEMBL226 P30542 Adenosine A1 receptor 85.31% 95.93%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.30% 97.25%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.96% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.11% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.06% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.87% 100.00%
CHEMBL255 P29275 Adenosine A2b receptor 81.23% 98.59%
CHEMBL4208 P20618 Proteasome component C5 81.14% 90.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.57% 91.19%

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 12784329
LOTUS LTS0100077
wikiData Q27463615