(1S,18S,20R)-10-hydroxy-6-methoxy-8,17-dioxa-25-azapentacyclo[16.7.1.19,13.02,7.020,25]heptacosa-2(7),3,5,9,11,13(27)-hexaen-16-one
| Internal ID | 0ca7c0b1-11d4-4d57-ab65-db44a2e8b258 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,18S,20R)-10-hydroxy-6-methoxy-8,17-dioxa-25-azapentacyclo[16.7.1.19,13.02,7.020,25]heptacosa-2(7),3,5,9,11,13(27)-hexaen-16-one |
| SMILES (Canonical) | COC1=CC=CC2=C1OC3=C(C=CC(=C3)CCC(=O)OC4CC5CCCCN5C2C4)O |
| SMILES (Isomeric) | COC1=CC=CC2=C1OC3=C(C=CC(=C3)CCC(=O)O[C@H]4C[C@H]5CCCCN5[C@H]2C4)O |
| InChI | InChI=1S/C25H29NO5/c1-29-22-7-4-6-19-20-15-18(14-17-5-2-3-12-26(17)20)30-24(28)11-9-16-8-10-21(27)23(13-16)31-25(19)22/h4,6-8,10,13,17-18,20,27H,2-3,5,9,11-12,14-15H2,1H3/t17-,18+,20+/m1/s1 |
| InChI Key | HSAHLFWGHGZSHW-HBFSDRIKSA-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) | 68.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1S,18S,20R)-10-hydroxy-6-methoxy-8,17-dioxa-25-azapentacyclo[16.7.1.19,13.02,7.020,25]heptacosa-2(7),3,5,9,11,13(27)-hexaen-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/c06262e0-85cb-11ee-9f2c-f1c57732d05e.jpg "2D Structure of (1S,18S,20R)-10-hydroxy-6-methoxy-8,17-dioxa-25-azapentacyclo[16.7.1.19,13.02,7.020,25]heptacosa-2(7),3,5,9,11,13(27)-hexaen-16-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.49% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.13% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.01% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.31% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.11% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.76% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.43% | 85.14% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.87% | 99.18% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.43% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.78% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.63% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.77% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.80% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.12% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.01% | 90.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.00% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.49% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.75% | 93.99% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.62% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.17% | 93.04% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.90% | 94.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.81% | 97.14% |
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.
| Lagerstroemia indica |
| PubChem | 163001184 |
| LOTUS | LTS0043843 |
| wikiData | Q105032922 |