(1R,2R,3R,5S,6S,7R)-2-hydroxy-1,3-dimethoxy-6-methyl-5-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]octan-8-one
| Internal ID | 22dcddad-277a-42dc-9e9c-1a4e51514398 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (1R,2R,3R,5S,6S,7R)-2-hydroxy-1,3-dimethoxy-6-methyl-5-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]octan-8-one |
| SMILES (Canonical) | CC1C(C2(C(C(CC1(C2=O)CC=C)OC)O)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@]2([C@@H]([C@@H](C[C@@]1(C2=O)CC=C)OC)O)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| InChI | InChI=1S/C23H32O7/c1-8-9-22-12-17(28-5)20(24)23(30-7,21(22)25)18(13(22)2)14-10-15(26-3)19(29-6)16(11-14)27-4/h8,10-11,13,17-18,20,24H,1,9,12H2,2-7H3/t13-,17+,18+,20+,22-,23+/m0/s1 |
| InChI Key | OXGDSGZTOVAIER-KEBJHPCDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O7 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3R,5S,6S,7R)-2-hydroxy-1,3-dimethoxy-6-methyl-5-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]octan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/75c9ee20-864d-11ee-ae54-e9820135cc6b.jpg "2D Structure of (1R,2R,3R,5S,6S,7R)-2-hydroxy-1,3-dimethoxy-6-methyl-5-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]octan-8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.81% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.31% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.96% | 92.98% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.36% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.06% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.70% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.72% | 86.33% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 85.82% | 92.67% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.01% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.75% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.46% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.23% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.44% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.66% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.64% | 93.99% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.56% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.41% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.96% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.63% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.41% | 94.75% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163001512 |
| LOTUS | LTS0129796 |
| wikiData | Q105202600 |