(3S,4aR,6aS,7S,10aR,11aS,11bS)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-3,4a,5,6,7,10a,11,11a-octahydro-2H-naphtho[2,1-f][1]benzofuran-1,9-dione
| Internal ID | f90bb011-5940-49b0-8f10-34166b407790 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (3S,4aR,6aS,7S,10aR,11aS,11bS)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-3,4a,5,6,7,10a,11,11a-octahydro-2H-naphtho[2,1-f][1]benzofuran-1,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O6/c1-9-15-10(26-17(9)24)7-12-19(4)11(5-6-20(12,25)16(15)23)18(2,3)13(21)8-14(19)22/h10-13,16,21,23,25H,5-8H2,1-4H3/t10-,11-,12+,13+,16+,19+,20+/m1/s1 |
| InChI Key | HIJNWAUJRBKZHT-KPXUVONRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (3S,4aR,6aS,7S,10aR,11aS,11bS)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-3,4a,5,6,7,10a,11,11a-octahydro-2H-naphtho[2,1-f][1]benzofuran-1,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5e4cb300-84e3-11ee-8d60-535479b3ed22.jpg "2D Structure of (3S,4aR,6aS,7S,10aR,11aS,11bS)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-3,4a,5,6,7,10a,11,11a-octahydro-2H-naphtho[2,1-f][1]benzofuran-1,9-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.71% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.80% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.43% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.15% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.04% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.57% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.40% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.22% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.98% | 82.69% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.69% | 88.42% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.03% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.95% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.73% | 93.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.32% | 97.79% |
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.
| Suregada multiflora |
| PubChem | 100926683 |
| LOTUS | LTS0218959 |
| wikiData | Q105028878 |