4,9-Dihydroxy-5-methoxy-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 | e1f37917-9b60-41f5-8877-14f8423a2ed0 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 4,9-dihydroxy-5-methoxy-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=C2C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC(=C(C=C5)O)C2=C1)O |
| SMILES (Isomeric) | COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC(=C(C=C5)O)C2=C1)O |
| InChI | InChI=1S/C25H27NO5/c1-30-24-14-18-19(13-23(24)28)21-12-17(11-16-4-2-3-9-26(16)21)31-25(29)8-6-15-5-7-22(27)20(18)10-15/h5-8,10,13-14,16-17,21,27-28H,2-4,9,11-12H2,1H3 |
| InChI Key | CDTGNBVPXHNHGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H27NO5 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4,9-Dihydroxy-5-methoxy-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/ae7848f0-85f5-11ee-85ea-5bb24d168e72.jpg "2D Structure of 4,9-Dihydroxy-5-methoxy-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 | 96.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.19% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.19% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.02% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.77% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.46% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.31% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.22% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.93% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.80% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.54% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.33% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.20% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.03% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.46% | 82.67% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.03% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.78% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.59% | 99.15% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 83.27% | 93.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.84% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.72% | 90.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.69% | 88.48% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.36% | 90.24% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.24% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.17% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.97% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.65% | 92.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.57% | 92.62% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.22% | 91.76% |
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 montana |
| Heimia salicifolia |
| PubChem | 321494 |
| LOTUS | LTS0210958 |
| wikiData | Q104955164 |