[(2S)-3-acetyloxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-6-yl)-3-methylbutan-2-yl] acetate
| Internal ID | 305a0961-7d42-436f-bcc6-95018c24034f |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 5-methoxypsoralens |
| IUPAC Name | [(2S)-3-acetyloxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-6-yl)-3-methylbutan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(CC1=CC2=C(C=C3C(=C2OC)C=CO3)OC1=O)C(C)(C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)O[C@@H](CC1=CC2=C(C=C3C(=C2OC)C=CO3)OC1=O)C(C)(C)OC(=O)C |
| InChI | InChI=1S/C21H22O8/c1-11(22)27-18(21(3,4)29-12(2)23)9-13-8-15-17(28-20(13)24)10-16-14(6-7-26-16)19(15)25-5/h6-8,10,18H,9H2,1-5H3/t18-/m0/s1 |
| InChI Key | WCGGDCPOSLLLNB-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O8 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [(2S)-3-acetyloxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-6-yl)-3-methylbutan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-acetyloxy-1-4-methoxy-7-oxofuro32-gchromen-6-yl-3-methylbutan-2-yl-acetate.jpg "2D Structure of [(2S)-3-acetyloxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-6-yl)-3-methylbutan-2-yl] 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 | 99.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.99% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.74% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.28% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.13% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.28% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.24% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.84% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.38% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.15% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.52% | 93.65% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.32% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.57% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.11% | 96.00% |
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.
| Dorstenia foetida |
| PubChem | 162869601 |
| LOTUS | LTS0123845 |
| wikiData | Q105301424 |