cyclo[DL-Leu-DL-OLeu-DL-Leu-DL-Val-DL-Phe]

Details

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Internal ID 9a80fbf3-2715-4761-8506-9cc95c87f0d9
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name 6-benzyl-3,12,15-tris(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H50N4O6/c1-18(2)14-23-29(38)36-27(21(7)8)31(40)34-24(17-22-12-10-9-11-13-22)28(37)35-25(15-19(3)4)32(41)42-26(16-20(5)6)30(39)33-23/h9-13,18-21,23-27H,14-17H2,1-8H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)
InChI Key RXYLAKNEARPIDK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C32H50N4O6
Molecular Weight 586.80 g/mol
Exact Mass 586.37303533 g/mol
Topological Polar Surface Area (TPSA) 143.00 Ų
XlogP 5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of cyclo[DL-Leu-DL-OLeu-DL-Leu-DL-Val-DL-Phe]

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
CHEMBL2581 P07339 Cathepsin D 98.76% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.95% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.71% 96.09%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 89.91% 97.64%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.86% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 88.28% 94.73%
CHEMBL1949 P62937 Cyclophilin A 86.66% 98.57%
CHEMBL5103 Q969S8 Histone deacetylase 10 84.18% 90.08%
CHEMBL221 P23219 Cyclooxygenase-1 82.91% 90.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.04% 95.50%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.71% 97.14%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.93% 96.47%
CHEMBL4040 P28482 MAP kinase ERK2 80.88% 83.82%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 80.29% 89.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.09% 94.45%

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 75253425
LOTUS LTS0231461
wikiData Q104197055