Soliseptide A
| Internal ID | a0c095ec-84a0-44e8-b542-5b4237077b77 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (3S,6R,8R,13S,16R,19S,22R)-8,14-dihydroxy-19-[(1R)-1-hydroxyethyl]-4-methyl-13-(2-methylpropyl)-3,16-di(propan-2-yl)-1,4,10,11,14,17,20,26-octazatricyclo[20.4.0.06,11]hexacosane-2,5,12,15,18,21-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H54N8O9/c1-15(2)12-22-29(45)38-21(13-19(41)14-33-38)28(44)36(8)25(17(5)6)31(47)37-20(10-9-11-32-37)26(42)35-24(18(7)40)27(43)34-23(16(3)4)30(46)39(22)48/h15-25,32-33,40-41,48H,9-14H2,1-8H3,(H,34,43)(H,35,42)/t18-,19-,20-,21-,22+,23-,24+,25+/m1/s1 |
| InChI Key | DMXYJHVUOOQCBE-ZZPPOGJJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H54N8O9 |
| Molecular Weight | 682.80 g/mol |
| Exact Mass | 682.40137533 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
| 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 | 99.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.44% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.00% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.20% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.12% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.81% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.76% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.06% | 97.79% |
| CHEMBL228 | P31645 | Serotonin transporter | 92.85% | 95.51% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.37% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.84% | 83.82% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.83% | 90.93% |
| CHEMBL1949 | P62937 | Cyclophilin A | 89.55% | 98.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.89% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.74% | 98.59% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 88.52% | 97.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.65% | 94.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.63% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.96% | 96.61% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.62% | 94.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.61% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.82% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.65% | 93.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.89% | 98.03% |
| CHEMBL3468 | P55210 | Caspase-7 | 83.88% | 95.68% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 83.58% | 96.31% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.56% | 91.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.09% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.82% | 91.03% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.70% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.12% | 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 | 139591133 |
| LOTUS | LTS0121165 |
| wikiData | Q104985386 |