(3S,5R)-4,4-dimethyl-12-(2,4,5-trimethoxyphenyl)-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1(10),2(7),8,12-tetraen-11-one
| Internal ID | 33c96e42-28d2-4f55-aa25-2ca3dd501187 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | (3S,5R)-4,4-dimethyl-12-(2,4,5-trimethoxyphenyl)-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1(10),2(7),8,12-tetraen-11-one |
| SMILES (Canonical) | CC1(C2C1OC3=C2C4=C(C=C3)C(=O)C(=CO4)C5=CC(=C(C=C5OC)OC)OC)C |
| SMILES (Isomeric) | CC1([C@@H]2[C@H]1OC3=C2C4=C(C=C3)C(=O)C(=CO4)C5=CC(=C(C=C5OC)OC)OC)C |
| InChI | InChI=1S/C23H22O6/c1-23(2)19-18-14(29-22(19)23)7-6-11-20(24)13(10-28-21(11)18)12-8-16(26-4)17(27-5)9-15(12)25-3/h6-10,19,22H,1-5H3/t19-,22+/m0/s1 |
| InChI Key | GUBOZMSGAMLXPU-SIKLNZKXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (3S,5R)-4,4-dimethyl-12-(2,4,5-trimethoxyphenyl)-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1(10),2(7),8,12-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/71920f10-85d8-11ee-a328-3fc6696aa94d.jpg "2D Structure of (3S,5R)-4,4-dimethyl-12-(2,4,5-trimethoxyphenyl)-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1(10),2(7),8,12-tetraen-11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.53% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.34% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.62% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.14% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.06% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.75% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.15% | 93.99% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 88.60% | 92.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.07% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.71% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.31% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.31% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.32% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.34% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.88% | 96.09% |
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.
| Sarcolobus globosus |
| PubChem | 163003906 |
| LOTUS | LTS0164085 |
| wikiData | Q105019960 |