(1S,13R,17S,19S)-9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
| Internal ID | c126d620-9d6a-4f80-a576-16953c3aa7fc |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,13R,17S,19S)-9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CC(C5=CC2=C(C=C5)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)C[C@H](C5=CC2=C(C=C5)O)O)OC |
| InChI | InChI=1S/C26H31NO6/c1-31-24-12-18-19(13-25(24)32-2)21-11-17(10-16-5-3-4-8-27(16)21)33-26(30)14-23(29)15-6-7-22(28)20(18)9-15/h6-7,9,12-13,16-17,21,23,28-29H,3-5,8,10-11,14H2,1-2H3/t16-,17-,21-,23+/m0/s1 |
| InChI Key | AZYBQXPITOLDBL-SJQULFJYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31NO6 |
| Molecular Weight | 453.50 g/mol |
| Exact Mass | 453.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1S,13R,17S,19S)-9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/6fd2e820-856c-11ee-9401-ed861d3babaf.jpg "2D Structure of (1S,13R,17S,19S)-9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(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 | 97.28% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.65% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.08% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.95% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.25% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.97% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.70% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.05% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.25% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.75% | 97.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.45% | 93.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.47% | 88.48% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.93% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.53% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.96% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.91% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.90% | 91.49% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.44% | 99.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.77% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.43% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.88% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.62% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.15% | 97.28% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.02% | 82.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.00% | 90.24% |
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.
| Heimia salicifolia |
| PubChem | 101289710 |
| LOTUS | LTS0157639 |
| wikiData | Q104922014 |