CID 15765610
| Internal ID | c3d99a19-ec48-4ad4-b024-691a55ff22b1 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 3-amino-4-[(7R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-yl]pyrrole-2,5-dione |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C14CC5=C(C4C6=C(C(=O)NC6=O)N)C7=C(C=C5)OCO7)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2[C@]14CC5=C([C@H]4C6=C(C(=O)NC6=O)N)C7=C(C=C5)OCO7)OCO3 |
| InChI | InChI=1S/C24H21N3O6/c1-27-5-4-11-6-15-16(32-9-31-15)7-13(11)24(27)8-12-2-3-14-21(33-10-30-14)17(12)19(24)18-20(25)23(29)26-22(18)28/h2-3,6-7,19H,4-5,8-10H2,1H3,(H3,25,26,28,29)/t19-,24-/m0/s1 |
| InChI Key | SPJFMVFHRMKUFD-CYFREDJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H21N3O6 |
| Molecular Weight | 447.40 g/mol |
| Exact Mass | 447.14303540 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 1.60 |
| 3-amino-4-[(7R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-yl]pyrrole-2,5-dione |
| 94656-46-9 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.87% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.76% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.72% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.80% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.41% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.25% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.60% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.27% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.08% | 97.09% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.90% | 80.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.35% | 86.33% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.06% | 90.24% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.06% | 90.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.96% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.94% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.80% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.13% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.10% | 94.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.99% | 98.59% |
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.
| Hypecoum leptocarpum |
| PubChem | 15765610 |
| LOTUS | LTS0062278 |
| wikiData | Q105257424 |