(1S,13E,17R,19R)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
| Internal ID | 1c684624-c871-4d50-984c-5f48955a5a58 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (1S,13E,17R,19R)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC2=C(C=C5)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@@H]3C[C@@H](C[C@@H]4N3CCCC4)OC(=O)/C=C/C5=CC2=C(C=C5)O)OC |
| InChI | InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7+/t17-,18-,22+/m1/s1 |
| InChI Key | WCZWUYYJZVBKDZ-FKUAJXKPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H29NO5 |
| Molecular Weight | 435.50 g/mol |
| Exact Mass | 435.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (1S,13E,17R,19R)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/95e2cff0-8600-11ee-9e16-9f053054fba7.jpg "2D Structure of (1S,13E,17R,19R)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.37% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.47% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.98% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.56% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.09% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.93% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.54% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.34% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.01% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.20% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.72% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.77% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.37% | 82.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.30% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.83% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.43% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.99% | 96.00% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.92% | 93.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.72% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.34% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.20% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.14% | 99.15% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.97% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.93% | 97.25% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.92% | 94.78% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.65% | 91.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.16% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.10% | 91.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.09% | 88.48% |
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 | 163186971 |
| LOTUS | LTS0248691 |
| wikiData | Q105302201 |