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Oxiamycin

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 263825f3-e05f-4a9f-8574-27a2d3c0d6ab
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name (16S,17S,18S,21S)-18-hydroxy-17,21-dimethyl-22-oxa-10-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12-hexaene-17-carboxylic acid
SMILES (Canonical) CC12CCC(C(C1CCC3=CC4=C(C=C3O2)C5=CC=CC=C5N4)(C)C(=O)O)O
SMILES (Isomeric) C[C@]12CC[C@@H]([C@@]([C@@H]1CCC3=CC4=C(C=C3O2)C5=CC=CC=C5N4)(C)C(=O)O)O
InChI InChI=1S/C23H25NO4/c1-22-10-9-20(25)23(2,21(26)27)19(22)8-7-13-11-17-15(12-18(13)28-22)14-5-3-4-6-16(14)24-17/h3-6,11-12,19-20,24-25H,7-10H2,1-2H3,(H,26,27)/t19-,20+,22+,23+/m1/s1
InChI Key WFJWYMIUZRCIHV-VAPSRWTKSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C23H25NO4
Molecular Weight 379.40 g/mol
Exact Mass 379.17835828 g/mol
Topological Polar Surface Area (TPSA) 82.60 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Oxiamycin

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 99.46% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.41% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.77% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.17% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.84% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.35% 99.23%
CHEMBL2581 P07339 Cathepsin D 87.94% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.23% 97.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 85.10% 91.79%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.77% 92.62%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.42% 100.00%
CHEMBL2179 P04062 Beta-glucocerebrosidase 82.49% 85.31%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.49% 92.94%
CHEMBL5028 O14672 ADAM10 82.47% 97.50%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.45% 94.62%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 81.70% 94.08%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.47% 86.33%

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 70676036
LOTUS LTS0073053
wikiData Q105303965