(7E,9R,10S,11R,12R,13R,14R,15R,16S,17S)-2,4,10,12,14,16-hexahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,25-heptamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone
| Internal ID | fb7988e8-2c74-4db1-97cc-77614c250bd3 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (7E,9R,10S,11R,12R,13R,14R,15R,16S,17S)-2,4,10,12,14,16-hexahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,25-heptamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H45NO11/c1-14-10-8-9-11-22(38)36-26-16(3)32(44)23-24(33(45)20(7)34(46)25(23)35(26)47)28(40)15(2)12-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,14,17-19,21,27,29-31,37,39,41-43,45-46H,13H2,1-7H3,(H,36,38)/b10-8?,11-9?,15-12+/t14-,17+,18+,19-,21+,27-,29+,30-,31+/m0/s1 |
| InChI Key | DKNKXGMUDKSFMM-DXYFZFPISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H45NO11 |
| Molecular Weight | 655.70 g/mol |
| Exact Mass | 655.29926125 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (7E,9R,10S,11R,12R,13R,14R,15R,16S,17S)-2,4,10,12,14,16-hexahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,25-heptamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/482c96e0-8425-11ee-ae6a-8bf761ae082b.jpg "2D Structure of (7E,9R,10S,11R,12R,13R,14R,15R,16S,17S)-2,4,10,12,14,16-hexahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,25-heptamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.26% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.58% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.07% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.02% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.01% | 99.23% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.78% | 89.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.24% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.83% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.65% | 93.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.33% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.01% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.98% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.96% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.66% | 96.21% |
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 | 163195103 |
| LOTUS | LTS0081811 |
| wikiData | Q104983474 |