(4aS,7R,8S,8aS)-5',6'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde
| Internal ID | 5e12d65f-e31c-4210-b5e5-5db23a3679a8 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (4aS,7R,8S,8aS)-5',6'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O4/c1-13-6-7-17-20(2,3)8-5-9-21(17,4)22(13)11-14-10-16(24)18(25)15(12-23)19(14)26-22/h10,12-13,17,24-25H,5-9,11H2,1-4H3/t13-,17+,21+,22+/m1/s1 |
| InChI Key | XLFVUGGPQIMDHU-VPFQVGRTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (4aS,7R,8S,8aS)-5',6'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/c7956b40-8403-11ee-90dd-b3879f3706bb.jpg "2D Structure of (4aS,7R,8S,8aS)-5',6'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde")
| 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 | 98.71% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.36% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.66% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.16% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.15% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.68% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.75% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.98% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.21% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.10% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.07% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.64% | 86.33% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.87% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.76% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.70% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.37% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.35% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.88% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.86% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.62% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.47% | 91.03% |
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 | 162911138 |
| LOTUS | LTS0092800 |
| wikiData | Q105329948 |