Pamamycin 621A
| Internal ID | b4441b99-fee9-4577-abc7-9b5d3626ab6d |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-/m0/s1 |
| InChI Key | MMFMMXXZYTWNGM-ZZSWZHNPSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C36H63NO7 |
| Molecular Weight | 621.90 g/mol |
| Exact Mass | 621.46045335 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 7.70 |
| (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione |
| (1R,2S,5S,6R,7S,10R,11R,14S,15R,16S)-5-((1R)-1-((2R,5S)-5-((2R)-2-(dimethylamino)pentyl)oxolan-2-yl)ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo(14.2.1.17,10)icosane-3,12-dione |
| RefChem:169807 |
| SCHEMBL29884223 |
| CHEBI:219230 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.81% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.16% | 96.47% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 89.14% | 95.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.26% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.96% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.11% | 93.67% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.02% | 98.05% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 84.49% | 98.77% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.17% | 98.59% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.30% | 98.46% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.07% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.96% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.87% | 91.11% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.79% | 94.66% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.49% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.06% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.00% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.62% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.32% | 98.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10508137 |
| LOTUS | LTS0053236 |
| wikiData | Q77502731 |