Dihydroparfumidine
| Internal ID | f7f34d4b-f138-41f6-b324-e4030d3986ae |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC |
| InChI | InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21?/m0/s1 |
| InChI Key | QDNMFIYGVRUVCE-BGERDNNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.30 |
| (-)-Fumaricine |
| O-Methylfumarophycinol |
| Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)- |
| 24181-77-9 |
| 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 | 99.32% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.22% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.07% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.05% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.97% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.80% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.41% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.84% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.66% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.47% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.24% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.01% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.07% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.51% | 98.95% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.62% | 90.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.51% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.92% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.00% | 91.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.19% | 91.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.17% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.16% | 93.40% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.02% | 82.38% |
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 officinalis |
| PubChem | 179411 |
| LOTUS | LTS0208867 |
| wikiData | Q104394794 |