(1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol
| Internal ID | e4c225d2-55c1-4498-8d43-dd31f37b0471 |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | (1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol |
| SMILES (Canonical) | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(C(C3)O)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23[C@]14C[C@@H](C5=C2C(=C(C=C5)OC)O)O[C@]4([C@H]([C@H](C3)O)OC)OC |
| InChI | InChI=1S/C20H27NO6/c1-21-8-7-18-9-12(22)17(25-3)20(26-4)19(18,21)10-14(27-20)11-5-6-13(24-2)16(23)15(11)18/h5-6,12,14,17,22-23H,7-10H2,1-4H3/t12-,14-,17-,18-,19-,20-/m0/s1 |
| InChI Key | GAUBYMMEBUOLGW-XTBWBWPPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H27NO6 |
| Molecular Weight | 377.40 g/mol |
| Exact Mass | 377.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 80.60 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol](https://plantaedb.com/storage/docs/compounds/2023/11/8b0d2d40-869b-11ee-8574-9327bb0c8c68.jpg "2D Structure of (1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol")
| 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 | 98.93% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.49% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.76% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.17% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.41% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.20% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.48% | 89.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.24% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.36% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.91% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.57% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.90% | 91.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.94% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.20% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.91% | 97.14% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.76% | 85.83% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.03% | 91.00% |
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.
| Stephania longa |
| PubChem | 21593986 |
| LOTUS | LTS0060339 |
| wikiData | Q105005650 |