Cryptoacetalide
| Internal ID | 83a13fbf-b5c9-4594-990d-9ecb2a18216f |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (3S,4'R)-4',6,6-trimethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| SMILES (Canonical) | CC1CC2(C3=C(C4=C(C=C3)C(CCC4)(C)C)C(=O)O2)OC1 |
| SMILES (Isomeric) | C[C@@H]1C[C@]2(C3=C(C4=C(C=C3)C(CCC4)(C)C)C(=O)O2)OC1 |
| InChI | InChI=1S/C18H22O3/c1-11-9-18(20-10-11)14-7-6-13-12(15(14)16(19)21-18)5-4-8-17(13,2)3/h6-7,11H,4-5,8-10H2,1-3H3/t11-,18+/m1/s1 |
| InChI Key | HUTQFIYQAWCICW-ZMZPIMSZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.30 |
| AKOS040736010 |
| FS-7552 |
| 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 | 99.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.46% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.22% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.76% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.43% | 97.25% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.97% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.27% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.62% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.96% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.91% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.41% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.45% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.35% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.64% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.30% | 98.75% |
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 glutinosa |
| Salvia miltiorrhiza |
| Salvia przewalskii |
| PubChem | 46896125 |
| LOTUS | LTS0078483 |
| wikiData | Q105034042 |