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Awamycin

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 c5511494-5fbf-4208-abd7-3b8d06849c34
Taxonomy Phenylpropanoids and polyketides > Macrolactams
IUPAC Name methyl (7Z,18E,20Z)-2,10,12,14,16-pentahydroxy-4-methoxy-3,7,9,11,15,17,21-heptamethyl-25-methylsulfanyl-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-13-carboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C38H49NO12S/c1-15-12-11-13-16(2)37(48)39-26-33(46)23-22(34(47)36(26)52-10)24(35(50-8)21(7)32(23)45)29(42)18(4)14-17(3)28(41)20(6)31(44)25(38(49)51-9)30(43)19(5)27(15)40/h11-15,17,19-20,25,27-28,30-31,40-41,43-45H,1-10H3,(H,39,48)/b12-11+,16-13-,18-14-
InChI Key WZCNXFSCUFEMGW-UMLOSGLNSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C38H49NO12S
Molecular Weight 743.90 g/mol
Exact Mass 743.29754717 g/mol
Topological Polar Surface Area (TPSA) 242.00 Ų
XlogP 4.40

Synonyms

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87913-35-7
methyl (7Z,18E,20Z)-2,10,12,14,16-pentahydroxy-4-methoxy-3,7,9,11,15,17,21-heptamethyl-25-methylsulfanyl-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-13-carboxylate
Antibiotic Tan 528A
TAN 528A
Protostreptovaricin I, 10,25-didemethyl-21-hydroxy-10-(methoxycarbonyl)-19-O-methyl-25-(methylthio)-
Protostreptovaricin-31-oic acid, 25-demethyl-21-hydroxy-19-O-methyl-2S-(methylthio)-, methyl ester

2D Structure

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2D Structure of Awamycin

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 96.89% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.26% 94.45%
CHEMBL301 P24941 Cyclin-dependent kinase 2 94.58% 91.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.26% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.92% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.32% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.86% 98.95%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 92.41% 93.03%
CHEMBL1937 Q92769 Histone deacetylase 2 90.90% 94.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.39% 94.00%
CHEMBL2535 P11166 Glucose transporter 88.06% 98.75%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 86.36% 91.07%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 85.14% 92.88%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.26% 91.03%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.10% 89.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.57% 94.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.53% 85.14%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.33% 93.56%

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 6441157
LOTUS LTS0069609
wikiData Q105322962