(10R,11R,12Z,17Z,19Z,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone
| Internal ID | c1f280cb-4636-46ab-9dcb-abd81546d4d4 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | (10R,11R,12Z,17Z,19Z,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone |
| SMILES (Canonical) | CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCCC3C(=O)OC1C(C)C)O)C |
| SMILES (Isomeric) | C[C@@H]1/C=C\C(=O)NC/C=C\C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCCC3C(=O)O[C@@H]1C(C)C)O)\C |
| InChI | InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)/b7-5-,10-9-,18-13-/t19-,20-,23?,26-/m1/s1 |
| InChI Key | JOOMGSFOCRDAHL-PKKGJCBASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H37N3O7 |
| Molecular Weight | 527.60 g/mol |
| Exact Mass | 527.26315053 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 2.40 |
| 9040-13-5 |
![2D Structure of (10R,11R,12Z,17Z,19Z,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/2f3c2cc0-870b-11ee-ac84-85e3d7e322ee.jpg "2D Structure of (10R,11R,12Z,17Z,19Z,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.95% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 94.21% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.25% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.53% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.49% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.28% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.51% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.51% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.42% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.95% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.83% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.51% | 95.89% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.86% | 87.67% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.70% | 97.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.76% | 98.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.20% | 94.45% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.06% | 98.99% |
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 | 21944104 |
| LOTUS | LTS0045220 |
| wikiData | Q105132447 |