6-Methylcryptoacetalide
| Internal ID | c7767f62-6fb5-4c1b-a473-33fa082fb9bd |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (3S)-4',5,6,6-tetramethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| SMILES (Canonical) | CC1CC2(C3=C(C4=C(C(=C3)C)C(CCC4)(C)C)C(=O)O2)OC1 |
| SMILES (Isomeric) | CC1C[C@]2(C3=C(C4=C(C(=C3)C)C(CCC4)(C)C)C(=O)O2)OC1 |
| InChI | InChI=1S/C19H24O3/c1-11-9-19(21-10-11)14-8-12(2)16-13(15(14)17(20)22-19)6-5-7-18(16,3)4/h8,11H,5-7,9-10H2,1-4H3/t11?,19-/m0/s1 |
| InChI Key | ZOIFYOGQGNHQEI-OWRIGNJKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O3 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.70 |
| (3S)-4',5,6,6-tetramethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.09% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.66% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.30% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.77% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.48% | 93.40% |
| CHEMBL240 | Q12809 | HERG | 90.52% | 89.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.93% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.12% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.77% | 96.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.71% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.85% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.22% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.05% | 99.23% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 83.52% | 95.71% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 82.20% | 95.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.99% | 96.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.81% | 94.73% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.47% | 96.39% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.25% | 95.89% |
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.
| Salvia aegyptiaca |
| PubChem | 5319566 |
| LOTUS | LTS0168407 |
| wikiData | Q105380506 |