Dendroamide B
| Internal ID | c8cf1318-28a1-4009-82ac-2bd0b0a1dc45 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24N6O4S3/c1-9-19-27-15(11(3)31-19)18(30)23-10(2)20-25-14(7-33-20)17(29)24-12(5-6-32-4)21-26-13(8-34-21)16(28)22-9/h7-10,12H,5-6H2,1-4H3,(H,22,28)(H,23,30)(H,24,29)/t9-,10-,12-/m1/s1 |
| InChI Key | AERWTVOXUHXGAE-CKYFFXLPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24N6O4S3 |
| Molecular Weight | 520.70 g/mol |
| Exact Mass | 520.10211679 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | 2.10 |
| MLS005148192 |
| CHEMBL462762 |
| SCHEMBL16431329 |
| DTXSID401046306 |
| SMR003965427 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.32% | 89.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.27% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.46% | 81.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.53% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.14% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.85% | 85.14% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 90.49% | 88.84% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.23% | 98.95% |
| CHEMBL4439 | P36897 | TGF-beta receptor type I | 86.99% | 98.16% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.19% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.10% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.54% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.11% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.39% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.68% | 98.59% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.47% | 85.11% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.30% | 93.65% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.27% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.84% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.34% | 90.71% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.56% | 92.68% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.50% | 85.00% |
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 | 10673550 |
| LOTUS | LTS0230283 |
| wikiData | Q105275256 |