7-[[(1R,2S,4aS,5R,8aR)-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
| Internal ID | 5091b221-7ed0-4f0d-8389-d17b699d8300 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[[(1R,2S,4aS,5R,8aR)-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one |
| SMILES (Canonical) | CC1CCC2(C(C(=O)CCC2C1(C)COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@H](C(=O)CC[C@H]2[C@]1(C)COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C)C |
| InChI | InChI=1S/C26H34O6/c1-15-11-12-25(3)16(2)18(27)8-9-20(25)26(15,4)14-31-23-19(29-5)13-17-7-10-21(28)32-22(17)24(23)30-6/h7,10,13,15-16,20H,8-9,11-12,14H2,1-6H3/t15-,16-,20+,25+,26+/m0/s1 |
| InChI Key | XTBWJTFNNIOZFE-MXCXQTBPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O6 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 7-[[(1R,2S,4aS,5R,8aR)-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9b932d30-87f1-11ee-adc0-6b5e6578bb9e.jpg "2D Structure of 7-[[(1R,2S,4aS,5R,8aR)-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-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 | 95.62% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.35% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.09% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.80% | 94.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.95% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.23% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.03% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.97% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.19% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.76% | 94.45% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.73% | 85.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.62% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.79% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.61% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.45% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.98% | 99.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.91% | 96.43% |
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.
| Anthemis cretica |
| PubChem | 163195141 |
| LOTUS | LTS0190578 |
| wikiData | Q105341442 |