12-Methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-one
| Internal ID | 4ff91ed3-e505-45fb-90fa-7ca7643e75f8 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-one |
| SMILES (Canonical) | CC1=C2CC(CCC3=CC(C(C(=C1)O2)C(=C)C)OC3=O)C(=C)C |
| SMILES (Isomeric) | CC1=C2CC(CCC3=CC(C(C(=C1)O2)C(=C)C)OC3=O)C(=C)C |
| InChI | InChI=1S/C20H24O3/c1-11(2)14-6-7-15-10-18(23-20(15)21)19(12(3)4)17-8-13(5)16(9-14)22-17/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3 |
| InChI Key | OZJOSKPBVCKFPC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 12-Methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/12-methyl-29-bisprop-1-en-2-yl-414-dioxatricyclo921136pentadeca-11361511-trien-5-one.jpg "2D Structure of 12-Methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.77% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.68% | 89.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.75% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.48% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.20% | 93.04% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.97% | 95.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.86% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.26% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.87% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.53% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 85249325 |
| LOTUS | LTS0074826 |
| wikiData | Q105203872 |