(1S,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
| Internal ID | 8f8b0c33-5fa2-42ad-94e8-f52069de2dea |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O |
| InChI | InChI=1S/C25H29NO5/c1-30-22-9-7-18-20-14-17(13-16-4-2-3-11-26(16)20)31-23(28)10-6-15-5-8-21(27)19(12-15)24(18)25(22)29/h5,7-9,12,16-17,20,27,29H,2-4,6,10-11,13-14H2,1H3/t16-,17-,20-/m0/s1 |
| InChI Key | USNBCAPIYYPNGO-ZWOKBUDYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29NO5 |
| Molecular Weight | 423.50 g/mol |
| Exact Mass | 423.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (1S,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/2d7c7d60-85ab-11ee-a12e-c1b0c6da5146.jpg "2D Structure of (1S,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one")
| 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 | 95.99% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.06% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.84% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.29% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.62% | 99.15% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.80% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.73% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.81% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.91% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.02% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.78% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.47% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.45% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.96% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.95% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.86% | 94.00% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 85.43% | 93.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.42% | 96.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.87% | 90.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.58% | 99.18% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.47% | 94.78% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.45% | 88.48% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.32% | 97.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.63% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.56% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.30% | 92.62% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.14% | 91.96% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.34% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.17% | 91.49% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.79% | 91.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.23% | 82.69% |
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.
| Decodon verticillatus |
| Lagerstroemia indica |
| PubChem | 21603988 |
| LOTUS | LTS0128111 |
| wikiData | Q105278339 |