Veraguamide C
| Internal ID | c5aeeebf-e10d-4abb-964c-bdce4ffdcb7b |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9S,12S,13R,16S,19S)-3-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-ynyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H60N4O8/c1-13-15-16-19-27-25(10)32(42)38-28(21(3)4)34(44)40(12)30(23(7)8)37(47)49-31(24(9)14-2)35(45)41-20-17-18-26(41)33(43)39(11)29(22(5)6)36(46)48-27/h1,21-31H,14-20H2,2-12H3,(H,38,42)/t24-,25-,26-,27+,28-,29-,30-,31-/m0/s1 |
| InChI Key | DOTFUBBQWCBCSH-AVCHBABLSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C37H60N4O8 |
| Molecular Weight | 688.90 g/mol |
| Exact Mass | 688.44111488 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 5.90 |
| CHEBI:67332 |
| CHEMBL1783107 |
| DTXSID101047212 |
| Q27135789 |
| 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 | 98.79% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.64% | 96.61% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.62% | 96.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.55% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.69% | 90.08% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 95.89% | 94.66% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.92% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.83% | 82.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.44% | 97.05% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.20% | 91.76% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.01% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.71% | 90.71% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 91.70% | 92.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.05% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.67% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.45% | 95.51% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.04% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.88% | 98.59% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 87.38% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.58% | 95.89% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.67% | 98.57% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 85.56% | 94.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.45% | 95.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.99% | 97.79% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.96% | 95.36% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.47% | 93.03% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.88% | 95.92% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.35% | 96.38% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.18% | 98.33% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.08% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.94% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.32% | 88.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.22% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.16% | 95.58% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.02% | 100.00% |
| CHEMBL3691 | Q13822 | Autotaxin | 80.90% | 96.39% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.13% | 96.47% |
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 | 53355338 |
| LOTUS | LTS0224322 |
| wikiData | Q27135789 |