(1S,13Z,17R,19S,20R)-9,20-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),13-heptaen-15-one
| Internal ID | 556b2a10-6ea1-4d28-be73-7bfcf196780f |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (1S,13Z,17R,19S,20R)-9,20-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),13-heptaen-15-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4O)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]4N3CCC[C@H]4O)OC(=O)/C=C\C5=CC2=C(C=C5)O)OC |
| InChI | InChI=1S/C26H29NO6/c1-31-24-13-17-18(14-25(24)32-2)20-11-16(12-21-23(29)4-3-9-27(20)21)33-26(30)8-6-15-5-7-22(28)19(17)10-15/h5-8,10,13-14,16,20-21,23,28-29H,3-4,9,11-12H2,1-2H3/b8-6-/t16-,20+,21+,23-/m1/s1 |
| InChI Key | VWCBHUSUACQSIV-GATZCXJOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H29NO6 |
| Molecular Weight | 451.50 g/mol |
| Exact Mass | 451.19948764 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1S,13Z,17R,19S,20R)-9,20-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),13-heptaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/f26524b0-8547-11ee-800e-3fc992e113d0.jpg "2D Structure of (1S,13Z,17R,19S,20R)-9,20-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),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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.89% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.63% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.11% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.75% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.85% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.58% | 82.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.25% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.81% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.66% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.50% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.22% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.30% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.40% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.71% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.55% | 89.62% |
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 | 101863379 |
| LOTUS | LTS0214353 |
| wikiData | Q105297995 |