[(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate
| Internal ID | 7e400d10-4af2-4b84-8a69-3536e1a64cfd |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | [(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2=C(CC13C4=CC(=C(C=C4CCN3C)OC)OC)C=CC5=C2OCO5 |
| SMILES (Isomeric) | CC(=O)O[C@@H]1C2=C(C[C@]13C4=CC(=C(C=C4CCN3C)OC)OC)C=CC5=C2OCO5 |
| InChI | InChI=1S/C23H25NO6/c1-13(25)30-22-20-15(5-6-17-21(20)29-12-28-17)11-23(22)16-10-19(27-4)18(26-3)9-14(16)7-8-24(23)2/h5-6,9-10,22H,7-8,11-12H2,1-4H3/t22-,23+/m1/s1 |
| InChI Key | HTLXWDJBTOCUFB-PKTZIBPZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25NO6 |
| Molecular Weight | 411.40 g/mol |
| Exact Mass | 411.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/366957f0-85ce-11ee-b32a-6f30aac4d697.jpg "2D Structure of [(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate")
| 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 | 99.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.99% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.13% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.00% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.68% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.55% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.11% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.30% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.54% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.75% | 89.50% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.26% | 90.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.45% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.05% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.95% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.02% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.98% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.25% | 89.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.01% | 83.82% |
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.
| Fumaria muralis |
| Fumaria officinalis |
| PubChem | 102181853 |
| LOTUS | LTS0085640 |
| wikiData | Q104392539 |