(2R,4R,5S,11S,12R)-12-hydroxy-4,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatetracyclo[11.2.1.15,8.02,4]heptadeca-1(15),8(17),13-trien-7-one
| Internal ID | 66c5259b-87ae-45b3-a3b1-a07344ba1197 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | (2R,4R,5S,11S,12R)-12-hydroxy-4,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatetracyclo[11.2.1.15,8.02,4]heptadeca-1(15),8(17),13-trien-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O4/c1-10(2)13-6-5-12-8-16(24-19(12)22)20(4)9-14(20)15-7-11(3)18(23-15)17(13)21/h7-8,13-14,16-17,21H,1,5-6,9H2,2-4H3/t13-,14-,16-,17+,20+/m0/s1 |
| InChI Key | RJNSMAYIYZNIMV-IFTIQHTGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 59.70 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (2R,4R,5S,11S,12R)-12-hydroxy-4,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatetracyclo[11.2.1.15,8.02,4]heptadeca-1(15),8(17),13-trien-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/893824d0-87b5-11ee-9afa-f1ffa131b46e.jpg "2D Structure of (2R,4R,5S,11S,12R)-12-hydroxy-4,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatetracyclo[11.2.1.15,8.02,4]heptadeca-1(15),8(17),13-trien-7-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 | 96.48% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.14% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.90% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.31% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.46% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.96% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.15% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.37% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.29% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.70% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.31% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.88% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.51% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.51% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.40% | 92.62% |
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.
| There are no matching plants. |
| PubChem | 102122486 |
| LOTUS | LTS0188618 |
| wikiData | Q105237630 |