(4aR,5R,6aS,7R,7aS,12aR,12bR)-2,5,7a,12a-tetramethyl-11-[[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl]spiro[4a,5,6a,8,9,12b-hexahydro-1H-naphtho[2,1-g]quinoline-7,4'-oxolane]-2',4,6,10-tetrone
| Internal ID | d1b7f0c1-49ec-46e8-9a0b-5c9f8bbcd215 |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Piperidinones |
| IUPAC Name | (4aR,5R,6aS,7R,7aS,12aR,12bR)-2,5,7a,12a-tetramethyl-11-[[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl]spiro[4a,5,6a,8,9,12b-hexahydro-1H-naphtho[2,1-g]quinoline-7,4'-oxolane]-2',4,6,10-tetrone |
| SMILES (Canonical) | CC1CC(OC1=O)CN2C(=O)CCC3(C2=CC4(C5CC(=CC(=O)C5C(C(=O)C4C36CC(=O)OC6)C)C)C)C |
| SMILES (Isomeric) | C[C@H]1C[C@H](OC1=O)CN2C(=O)CC[C@@]3(C2=C[C@]4([C@@H]5CC(=CC(=O)[C@H]5[C@H](C(=O)[C@@H]4[C@]36CC(=O)OC6)C)C)C)C |
| InChI | InChI=1S/C30H37NO7/c1-15-8-19-24(20(32)9-15)17(3)25(35)26-28(19,4)11-21-29(5,30(26)12-23(34)37-14-30)7-6-22(33)31(21)13-18-10-16(2)27(36)38-18/h9,11,16-19,24,26H,6-8,10,12-14H2,1-5H3/t16-,17+,18-,19+,24-,26-,28-,29+,30+/m0/s1 |
| InChI Key | QARQPZGYTXSOTK-MIOONVICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H37NO7 |
| Molecular Weight | 523.60 g/mol |
| Exact Mass | 523.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (4aR,5R,6aS,7R,7aS,12aR,12bR)-2,5,7a,12a-tetramethyl-11-[[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl]spiro[4a,5,6a,8,9,12b-hexahydro-1H-naphtho[2,1-g]quinoline-7,4'-oxolane]-2',4,6,10-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/5e5f1af0-8584-11ee-8519-895f41b673b0.jpg "2D Structure of (4aR,5R,6aS,7R,7aS,12aR,12bR)-2,5,7a,12a-tetramethyl-11-[[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl]spiro[4a,5,6a,8,9,12b-hexahydro-1H-naphtho[2,1-g]quinoline-7,4'-oxolane]-2',4,6,10-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.07% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.14% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.14% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 93.13% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.29% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.81% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.89% | 94.66% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.88% | 95.56% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 90.87% | 94.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.22% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.51% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.89% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.73% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.15% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.61% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.51% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.97% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.72% | 96.43% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.65% | 92.12% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.88% | 93.04% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.61% | 89.05% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.67% | 93.67% |
| CHEMBL204 | P00734 | Thrombin | 81.57% | 96.01% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.38% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.92% | 89.63% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.82% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.46% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 80.25% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 21671073 |
| LOTUS | LTS0056681 |
| wikiData | Q104396147 |