(13R)-13-[[(4aS,5R,8R,8aS)-5-methoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
| Internal ID | a562acd1-83b0-4fd0-8684-dc647ec14e0a |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | (13R)-13-[[(4aS,5R,8R,8aS)-5-methoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H45NO5/c1-21(2)24-14-15-37(3,41-7)29-12-8-22(16-28(24)29)17-30-34-25(11-13-31(39-5)36(34)40-6)26-10-9-23-18-32-33(43-20-42-32)19-27(23)35(26)38(30)4/h9-11,13,16,18-19,21,24,28-30H,8,12,14-15,17,20H2,1-7H3/t24-,28-,29+,30-,37-/m1/s1 |
| InChI Key | RDACIPRKFVDYFL-GUMVGTSZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H45NO5 |
| Molecular Weight | 583.80 g/mol |
| Exact Mass | 583.32977354 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of (13R)-13-[[(4aS,5R,8R,8aS)-5-methoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine](https://plantaedb.com/storage/docs/compounds/2023/11/51d04310-85d2-11ee-821a-230cdb2e12ca.jpg "2D Structure of (13R)-13-[[(4aS,5R,8R,8aS)-5-methoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.97% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.29% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 98.10% | 96.76% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.04% | 94.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 97.13% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 96.74% | 92.62% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 96.56% | 92.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.13% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.02% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.35% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.22% | 91.11% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 92.86% | 92.38% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 92.80% | 95.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.55% | 94.45% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.29% | 95.12% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 92.10% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.89% | 94.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.69% | 89.50% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.13% | 92.98% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.63% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.37% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.78% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.52% | 95.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.37% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.75% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.68% | 83.82% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.47% | 97.31% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.91% | 96.43% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 84.76% | 97.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.60% | 100.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.22% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.66% | 94.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.25% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.24% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.40% | 92.88% |
| CHEMBL4158 | P49327 | Fatty acid synthase | 81.35% | 82.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.62% | 95.89% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.51% | 85.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.31% | 90.00% |
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.
| Zanthoxylum nitidum |
| PubChem | 163028808 |
| LOTUS | LTS0215113 |
| wikiData | Q105234092 |