Grassypeptolide G
| Internal ID | e062ec15-f1ff-48f4-9bb2-29b5fff52036 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2R,5R,9R,12S,18S,21S,24R,25R,28R,31R,34R)-9,21,31-tribenzyl-2,10,19,24,25,32-hexamethyl-18,28-di(propan-2-yl)-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonazatetracyclo[32.2.1.15,8.012,16]octatriaconta-1(37),8(38)-diene-4,11,17,20,23,27,30,33-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C59H77N9O9S2/c1-34(2)48-52(71)60-37(6)36(5)59(76)77-47(31-41-25-18-13-19-26-41)57(74)67(10)49(35(3)4)58(75)68-28-20-27-44(68)56(73)66(9)46(30-40-23-16-12-17-24-40)54-62-42(32-79-54)50(69)61-38(7)53-63-43(33-78-53)55(72)65(8)45(51(70)64-48)29-39-21-14-11-15-22-39/h11-19,21-26,34-38,42-49H,20,27-33H2,1-10H3,(H,60,71)(H,61,69)(H,64,70)/t36-,37-,38-,42+,43+,44+,45-,46-,47+,48-,49+/m1/s1 |
| InChI Key | ULECEIQKIPOQCI-PEUUUMOWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C59H77N9O9S2 |
| Molecular Weight | 1120.40 g/mol |
| Exact Mass | 1119.52856741 g/mol |
| Topological Polar Surface Area (TPSA) | 270.00 Ų |
| XlogP | 7.30 |
| DTXSID201334743 |
| RefChem:144378 |
| DTXCID001764215 |
| CHEMBL1823867 |
| Grassypeptolides G |
| SCHEMBL29885578 |
| CHEBI:69194 |
| BDBM50352479 |
| Q27137533 |
| (3R,7R,10R,14R,17R,20R,23R,24R,27S,30S,35aS)-3,17,27-Tribenzyl-2,10,16,23,24,29-hexamethyl-20,30-di(propan-2-yl)hexadecahydro-1H,6H,13H,27H-7,4:14,11-di(azeno)pyrrolo[1,2-g][1,13,20,4,7,10,17,24,27,30]oxadithiaheptaazacyclotritriacontine-1,8,15,18,21,25,28,31(7H,14H,22H)-octone |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.58% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.23% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.33% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.18% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.78% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.70% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.56% | 97.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.35% | 91.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.61% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.27% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.51% | 97.05% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 90.48% | 96.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.20% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.37% | 92.97% |
| CHEMBL1949 | P62937 | Cyclophilin A | 87.26% | 98.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.01% | 99.23% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.88% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.14% | 82.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.90% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.34% | 93.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.39% | 88.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.80% | 94.66% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.67% | 91.43% |
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.
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| There are no matching plants. |
| PubChem | 53493059 |
| LOTUS | LTS0218995 |
| wikiData | Q27137533 |