(4aR,6S,10aR,11aR,11bR)-6,11a-dihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,10a,11-octahydronaphtho[2,1-f][1]benzofuran-9-one
| Internal ID | d329c634-6a85-4b25-b5b8-d5a10c069837 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (4aR,6S,10aR,11aR,11bR)-6,11a-dihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,10a,11-octahydronaphtho[2,1-f][1]benzofuran-9-one |
| SMILES (Canonical) | CC1=C2C=C3C(CC4C(CCCC4(C3(CC2OC1=O)O)C)(C)C)O |
| SMILES (Isomeric) | CC1=C2C=C3[C@H](C[C@H]4[C@]([C@@]3(C[C@H]2OC1=O)O)(CCCC4(C)C)C)O |
| InChI | InChI=1S/C20H28O4/c1-11-12-8-13-14(21)9-16-18(2,3)6-5-7-19(16,4)20(13,23)10-15(12)24-17(11)22/h8,14-16,21,23H,5-7,9-10H2,1-4H3/t14-,15+,16+,19+,20-/m0/s1 |
| InChI Key | BUMGYGSFUGTKPF-AFJOWOCMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (4aR,6S,10aR,11aR,11bR)-6,11a-dihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,10a,11-octahydronaphtho[2,1-f][1]benzofuran-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/0c263be0-86d2-11ee-99ac-091c322b7168.jpg "2D Structure of (4aR,6S,10aR,11aR,11bR)-6,11a-dihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,10a,11-octahydronaphtho[2,1-f][1]benzofuran-9-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.18% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.28% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.15% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.84% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.56% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.52% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.19% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.75% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.85% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.79% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.25% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.56% | 98.95% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.07% | 87.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.66% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.55% | 81.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.16% | 89.00% |
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.
| Euphorbia seguieriana |
| PubChem | 15275764 |
| LOTUS | LTS0170878 |
| wikiData | Q104946170 |