(1S,6S,10S,12S)-12-ethenyl-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.02,6]tetradec-2-ene-4,13-dione
| Internal ID | b5c82b58-ca34-4a00-8c46-9dbe38d85f19 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | (1S,6S,10S,12S)-12-ethenyl-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.02,6]tetradec-2-ene-4,13-dione |
| SMILES (Canonical) | CC1(CCC2CC(C(=O)CC2(C3=CC(=O)OC31)C)(C)C=C)C |
| SMILES (Isomeric) | C[C@]1(C[C@@H]2CCC([C@H]3C(=CC(=O)O3)[C@]2(CC1=O)C)(C)C)C=C |
| InChI | InChI=1S/C19H26O3/c1-6-18(4)10-12-7-8-17(2,3)16-13(9-15(21)22-16)19(12,5)11-14(18)20/h6,9,12,16H,1,7-8,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1 |
| InChI Key | XGSHVHUXGRNZTJ-GJGHSUIPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26O3 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1S,6S,10S,12S)-12-ethenyl-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.02,6]tetradec-2-ene-4,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1s6s10s12s-12-ethenyl-17712-tetramethyl-5-oxatricyclo840026tetradec-2-ene-413-dione.jpg "2D Structure of (1S,6S,10S,12S)-12-ethenyl-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.02,6]tetradec-2-ene-4,13-dione")
| 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 | 92.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.35% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.65% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.43% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.37% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.17% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.18% | 91.49% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.72% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.68% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.80% | 93.40% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.27% | 93.00% |
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.
| Petalostigma pubescens |
| PubChem | 16088001 |
| LOTUS | LTS0085527 |
| wikiData | Q105327782 |