15-[2-(3,3-Dimethyloxiran-2-yl)-2,3-dihydrofuran-4-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecane-3,7-diol
| Internal ID | 1f3d8a5e-dc08-4ef5-b162-b355daf8db59 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | 15-[2-(3,3-dimethyloxiran-2-yl)-2,3-dihydrofuran-4-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecane-3,7-diol |
| SMILES (Canonical) | CC1(C(CCC2(C1CC(C3(C2CCC45C3(C4)CCC5C6=COC(C6)C7C(O7)(C)C)C)O)C)O)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1CC(C3(C2CCC45C3(C4)CCC5C6=COC(C6)C7C(O7)(C)C)C)O)C)O)C |
| InChI | InChI=1S/C30H46O4/c1-25(2)21-14-23(32)28(6)20(27(21,5)10-9-22(25)31)8-11-29-16-30(28,29)12-7-18(29)17-13-19(33-15-17)24-26(3,4)34-24/h15,18-24,31-32H,7-14,16H2,1-6H3 |
| InChI Key | SUFZQEDPLSRMBD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 15-[2-(3,3-Dimethyloxiran-2-yl)-2,3-dihydrofuran-4-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecane-3,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/08a221a0-8637-11ee-9e4e-d99aa6f5602b.jpg "2D Structure of 15-[2-(3,3-Dimethyloxiran-2-yl)-2,3-dihydrofuran-4-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecane-3,7-diol")
| 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 | 94.91% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.70% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.97% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.00% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.25% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.26% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.74% | 90.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.39% | 85.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.92% | 92.94% |
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.
| Ailanthus triphysa |
| PubChem | 85082261 |
| LOTUS | LTS0074964 |
| wikiData | Q105260898 |