Cyclosporin E
| Internal ID | ff6d6ce9-420f-4cbb-b2b3-ab8a798f91b3 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Peptoid-peptide hybrids > Cyclosporins |
| IUPAC Name | (3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)43(28-33(3)4)54(77)65-48(37(11)12)60(83)70(21)44(29-34(5)6)53(76)62-40(16)52(75)63-41(17)57(80)71(22)46(31-36(9)10)59(82)69(20)45(30-35(7)8)55(78)66-49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,78)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1 |
| InChI Key | SYXYUKMELXLDBD-WKHWYDSQSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C61H109N11O12 |
| Molecular Weight | 1188.60 g/mol |
| Exact Mass | 1187.82571795 g/mol |
| Topological Polar Surface Area (TPSA) | 288.00 Ų |
| XlogP | 7.30 |
| 63798-73-2 |
| Cyclosporin A, 5-L-valine- |
| Cyclosporin E, (-)- |
| UNII-26496N541O |
| 26496N541O |
| Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl |
| DTXSID10904565 |
| (3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| (3S,6R,9S,12S,15S,18S,24S,27S,30S,33S)-24-ethyl-27-((E,1R,2R)-1-hydroxy-2-methylhex-4-enyl)-1,4,6,9,13,19,22,28-octamethyl-3,12,18,33-tetrakis(2-methylpropyl)-15,30-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| RefChem:129980 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL1949 | P62937 | Cyclophilin A | 99.46% | 98.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.46% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.06% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 91.31% | 92.12% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.25% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.40% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.32% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.42% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.94% | 90.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.47% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 86.05% | 96.31% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.45% | 95.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.01% | 98.59% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.01% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.32% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.10% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.33% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.14% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.01% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.21% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.10% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.07% | 94.66% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.06% | 89.50% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 90478790 |
| LOTUS | LTS0078963 |
| wikiData | Q27254040 |