7-[[(1R,2S,3R,4aS,5R,8aS)-3-hydroxy-2,4a,5,8a-tetramethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
| Internal ID | dc967566-105e-4926-a9e3-e87aa1a5a8d1 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[[(1R,2S,3R,4aS,5R,8aS)-3-hydroxy-2,4a,5,8a-tetramethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O5/c1-14-18(13-28-17-7-5-16-6-8-22(27)29-21(16)11-17)23(3)10-9-19(25)15(2)24(23,4)12-20(14)26/h5-8,11,14-15,18,20,26H,9-10,12-13H2,1-4H3/t14-,15-,18+,20+,23-,24-/m0/s1 |
| InChI Key | OFOSZWHCKXZUKF-IOAHLMNPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30O5 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 7-[[(1R,2S,3R,4aS,5R,8aS)-3-hydroxy-2,4a,5,8a-tetramethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/e1d61300-883f-11ee-94ff-674471a2a309.jpg "2D Structure of 7-[[(1R,2S,3R,4aS,5R,8aS)-3-hydroxy-2,4a,5,8a-tetramethyl-6-oxo-2,3,4,5,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-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 | 98.59% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.10% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.90% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.73% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.15% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.94% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.07% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.70% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.49% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.80% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.97% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.75% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.95% | 99.17% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.12% | 97.53% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.05% | 97.25% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.04% | 95.78% |
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.
| Ferula sinaica |
| PubChem | 100957402 |
| LOTUS | LTS0083718 |
| wikiData | Q105191326 |