malevamide E
| Internal ID | 7cc07746-04b5-4d07-b005-8af78a8937ca |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[(3S,6S,9S,12R,31R,34S,37S)-9-benzyl-20-methoxy-4,7,10,15,28,31,32,35-octamethyl-2,5,8,11,14,30,33,36-octaoxo-3,6,12-tri(propan-2-yl)-29-oxa-1,4,7,10,13,32,35-heptazabicyclo[35.3.0]tetraconta-15,17,23-trien-34-yl]-N-methylacetamide |
| SMILES (Canonical) | CC1CCCC=CCCC(CC=CC=C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N2CCCC2C(=O)N(C(C(=O)N(C(C(=O)O1)C)C)CC(=O)NC)C)C(C)C)C)C(C)C)C)CC3=CC=CC=C3)C)C(C)C)C)OC |
| SMILES (Isomeric) | C[C@@H]1C(=O)OC(CCCC=CCCC(CC=CC=C(C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N1C)CC(=O)NC)C)C(C)C)C)C(C)C)C)CC3=CC=CC=C3)C)C(C)C)C)OC)C |
| InChI | InChI=1S/C60H94N8O11/c1-38(2)50-57(74)65(13)47(36-44-30-22-20-23-31-44)56(73)66(14)51(39(3)4)58(75)67(15)52(40(5)6)59(76)68-35-27-34-46(68)54(71)64(12)48(37-49(69)61-10)55(72)63(11)43(9)60(77)79-42(8)29-21-18-17-19-24-32-45(78-16)33-26-25-28-41(7)53(70)62-50/h17,19-20,22-23,25-26,28,30-31,38-40,42-43,45-48,50-52H,18,21,24,27,29,32-37H2,1-16H3,(H,61,69)(H,62,70)/t42?,43-,45?,46+,47+,48+,50-,51+,52+/m1/s1 |
| InChI Key | JCNPRLFFSUMABB-OFOGQRPBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C60H94N8O11 |
| Molecular Weight | 1103.40 g/mol |
| Exact Mass | 1102.70420584 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 7.50 |
| DTXSID401335547 |
| 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 | 99.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.03% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.54% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.16% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.94% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.86% | 91.11% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.49% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.15% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.88% | 93.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.42% | 97.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.40% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.79% | 96.47% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.76% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.00% | 90.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 85.81% | 96.31% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.35% | 92.97% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.83% | 94.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.82% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.74% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.24% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.00% | 99.17% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.84% | 88.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.59% | 97.50% |
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.
| Symplocos laeteviridis |
| PubChem | 139583748 |
| LOTUS | LTS0093111 |
| wikiData | Q75067034 |