(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,6',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde
| Internal ID | 022242d9-57e3-4621-a2f3-32a4c2873c37 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,6',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32O4/c1-13-10-17(25)15-11-23(27-20(15)16(13)12-24)14(2)6-7-18-21(3,4)19(26)8-9-22(18,23)5/h10,12,14,18-19,25-26H,6-9,11H2,1-5H3/t14-,18+,19-,22+,23-/m1/s1 |
| InChI Key | UOIBNKXNAPXQNY-JEWZMFNGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C23H32O4 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.70 |
| 159096-49-8 |
| (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,6',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde |
| CHEMBL3092716 |
| CHEBI:204378 |
| HY-N11430 |
| AKOS040761725 |
| DA-73285 |
| CS-0159132 |
| CS-0646802 |
| H63292 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,6',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/d4d80450-855f-11ee-9aa1-55a22ab0c7ff.jpg "2D Structure of (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,6',7,8a-pentamethylspiro[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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.07% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.35% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.89% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.02% | 92.94% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.29% | 98.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.30% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.58% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.48% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.20% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.59% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.07% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.27% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.88% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.59% | 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 | 9999368 |
| LOTUS | LTS0186739 |
| wikiData | Q77385410 |