(7S,9S)-9-methoxy-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]
| Internal ID | 178d1f10-362f-419c-a222-6e15bbcbd2c3 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (7S,9S)-9-methoxy-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline] |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C14CC5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2[C@@]14CC5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3 |
| InChI | InChI=1S/C21H21NO6/c1-22-6-5-12-7-16-17(26-10-25-16)8-14(12)21(22)9-13-3-4-15-19(27-11-24-15)18(13)20(23-2)28-21/h3-4,7-8,20H,5-6,9-11H2,1-2H3/t20-,21-/m0/s1 |
| InChI Key | QXPNCCVBNLAVEG-SFTDATJTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21NO6 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 383.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (7S,9S)-9-methoxy-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]](https://plantaedb.com/storage/docs/compounds/2023/11/323e7010-8556-11ee-811e-87782246dc70.jpg "2D Structure of (7S,9S)-9-methoxy-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]")
| 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 | 98.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.71% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.53% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.84% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.75% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.37% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.20% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.13% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.67% | 94.00% |
| CHEMBL240 | Q12809 | HERG | 87.70% | 89.76% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.24% | 90.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.23% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.68% | 90.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.49% | 97.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.83% | 83.82% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.66% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.22% | 82.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.38% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.10% | 100.00% |
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.
| Papaver rhoeas |
| PubChem | 163041884 |
| LOTUS | LTS0183543 |
| wikiData | Q105229801 |