[(1S,5R,6R,7S,8S)-3,5-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
| Internal ID | 2056e974-bd36-4992-9e4b-00007e5adf13 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [(1S,5R,6R,7S,8S)-3,5-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate |
| SMILES (Canonical) | CC1C(C2(C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@]2([C@H]([C@@]1(C=C(C2=O)OC)CC=C)OC(=O)C)OC)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C24H28O8/c1-7-8-23-11-18(28-5)21(26)24(29-6,22(23)32-14(3)25)19(13(23)2)15-9-16(27-4)20-17(10-15)30-12-31-20/h7,9-11,13,19,22H,1,8,12H2,2-6H3/t13-,19+,22-,23+,24-/m0/s1 |
| InChI Key | COPLEPGVXBXNMK-RSAHXYALSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O8 |
| Molecular Weight | 444.50 g/mol |
| Exact Mass | 444.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [(1S,5R,6R,7S,8S)-3,5-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2c1057a0-860d-11ee-864c-1115269412b1.jpg "2D Structure of [(1S,5R,6R,7S,8S)-3,5-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] 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 | 99.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.66% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.07% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.53% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.40% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.82% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.75% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.43% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.69% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.34% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.82% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.02% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.80% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.48% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.40% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.97% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.73% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.69% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.61% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.55% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.03% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.94% | 94.80% |
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.
| Ocotea porosa |
| PubChem | 101618622 |
| LOTUS | LTS0094100 |
| wikiData | Q104967200 |