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Desotamide D

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 eabef3fd-df3c-4978-9183-290b565d7338
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name 2-[(2S,8S,11S,14R,17S)-8-[2-(2-aminophenyl)-2-oxoethyl]-17-[(2R)-butan-2-yl]-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C34H52N8O8/c1-7-19(6)29-34(50)41-25(15-27(36)44)30(46)37-16-28(45)38-24(14-26(43)20-10-8-9-11-21(20)35)32(48)39-22(12-17(2)3)31(47)40-23(13-18(4)5)33(49)42-29/h8-11,17-19,22-25,29H,7,12-16,35H2,1-6H3,(H2,36,44)(H,37,46)(H,38,45)(H,39,48)(H,40,47)(H,41,50)(H,42,49)/t19-,22+,23-,24+,25+,29+/m1/s1
InChI Key LZYIIJVZWQGRJH-CBHSLMNUSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C34H52N8O8
Molecular Weight 700.80 g/mol
Exact Mass 700.39081065 g/mol
Topological Polar Surface Area (TPSA) 261.00 Ų
XlogP 1.30

Synonyms

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CHEMBL3327053

2D Structure

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2D Structure of Desotamide D

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
CHEMBL4040 P28482 MAP kinase ERK2 99.14% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.81% 96.09%
CHEMBL2581 P07339 Cathepsin D 97.90% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.62% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 95.07% 90.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.51% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.60% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.22% 95.56%
CHEMBL4071 P08311 Cathepsin G 90.22% 94.64%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.65% 93.00%
CHEMBL2535 P11166 Glucose transporter 86.00% 98.75%
CHEMBL2443 P49862 Kallikrein 7 84.70% 94.00%
CHEMBL4208 P20618 Proteasome component C5 84.61% 90.00%
CHEMBL220 P22303 Acetylcholinesterase 84.20% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.14% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.11% 94.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.31% 96.47%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.09% 86.33%
CHEMBL226 P30542 Adenosine A1 receptor 80.37% 95.93%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 118712038
LOTUS LTS0131934
wikiData Q105160216