(3R,4R)-3-Hydroxy-5-[(E)-1-propenyl]cyclo[L-Leu-L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-]
| Internal ID | 4ff1d3b5-9b16-4656-925b-7e898377ece2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 27-ethyl-30-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,9,12,16,22,25-octamethyl-3,6,15,21-tetrakis(2-methylpropyl)-18,33-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)49-55(78)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)61(84)69(20)44(29-34(5)6)53(76)62-40(16)52(75)63-41(17)57(80)70(21)45(30-35(7)8)59(82)71(22)46(31-36(9)10)60(83)72(23)50(38(13)14)56(79)66-49/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)(H,66,79) |
| InChI Key | ZSNYYEIGOZADKA-UHFFFAOYSA-N |
| Popularity | 0 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 |
| There are no found synonyms. |
![2D Structure of (3R,4R)-3-Hydroxy-5-[(E)-1-propenyl]cyclo[L-Leu-L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-]](https://plantaedb.com/storage/docs/compounds/2023/11/83636470-85d9-11ee-87fa-01e0a321084e.jpg "2D Structure of (3R,4R)-3-Hydroxy-5-[(E)-1-propenyl]cyclo[L-Leu-L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-]")
| 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 | 98.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.95% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.79% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.03% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.91% | 90.08% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 90.77% | 92.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.91% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.25% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.07% | 95.71% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 86.63% | 96.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.56% | 95.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.08% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.31% | 96.61% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.01% | 90.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.89% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.77% | 90.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.70% | 95.51% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.63% | 97.79% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.41% | 93.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.05% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.66% | 94.66% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.40% | 97.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.32% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.57% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.57% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.27% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.21% | 99.23% |
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 | 75015913 |
| LOTUS | LTS0192932 |
| wikiData | Q105382601 |