[(1R,2S,4aR,5S,11bS)-1,2-diacetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,8,9-hexahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate
| Internal ID | 1550cfd0-a68f-48cb-a6e2-b22851fd8895 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | [(1R,2S,4aR,5S,11bS)-1,2-diacetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,8,9-hexahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34O8/c1-13-17-8-9-31-20(17)11-19-18(13)10-22(33-15(3)28)26(30)24(5,6)12-21(32-14(2)27)23(25(19,26)7)34-16(4)29/h11,21-23,30H,8-10,12H2,1-7H3/t21-,22-,23-,25-,26+/m0/s1 |
| InChI Key | JFKZQGISTANGQM-QKYIWSEVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O8 |
| Molecular Weight | 474.50 g/mol |
| Exact Mass | 474.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4aR,5S,11bS)-1,2-diacetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,8,9-hexahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4d831900-8499-11ee-8754-87128724c7f4.jpg "2D Structure of [(1R,2S,4aR,5S,11bS)-1,2-diacetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,8,9-hexahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate")
| 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 | 96.74% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.69% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.71% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.93% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.38% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.53% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.72% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.91% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.74% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.25% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.95% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.05% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.54% | 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.
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| There are no matching plants. |
| PubChem | 101366089 |
| LOTUS | LTS0048784 |
| wikiData | Q105126726 |