[(1S,2S,4R,8R,9S,10Z,12R)-12-methoxy-1,5,11-trimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate
| Internal ID | a28d9468-d061-4770-ad43-13c32b08831c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,2S,4R,8R,9S,10Z,12R)-12-methoxy-1,5,11-trimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate |
| SMILES (Canonical) | CC1=CCC(C2C1CC(C3(C=CC(O3)(C(=C2)C)OC)C)OC(=O)C=CC4=CN(C=N4)C)C(C)C |
| SMILES (Isomeric) | CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/C)OC)C)OC(=O)/C=C/C4=CN(C=N4)C)C(C)C |
| InChI | InChI=1S/C28H38N2O4/c1-18(2)22-10-8-19(3)23-15-25(33-26(31)11-9-21-16-30(6)17-29-21)27(5)12-13-28(32-7,34-27)20(4)14-24(22)23/h8-9,11-14,16-18,22-25H,10,15H2,1-7H3/b11-9+,20-14-/t22-,23+,24-,25+,27+,28-/m1/s1 |
| InChI Key | ZYPMSUOVHPJQDD-ALOGICOVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H38N2O4 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.28315770 g/mol |
| Topological Polar Surface Area (TPSA) | 62.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,4R,8R,9S,10Z,12R)-12-methoxy-1,5,11-trimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/f68c67e0-8656-11ee-9054-83ed6445a50b.jpg "2D Structure of [(1S,2S,4R,8R,9S,10Z,12R)-12-methoxy-1,5,11-trimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.27% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.44% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.10% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.05% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.89% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.69% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.43% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.06% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.30% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.39% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.57% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.27% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.53% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.83% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.29% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.88% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.72% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.13% | 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 | 10253991 |
| LOTUS | LTS0135378 |
| wikiData | Q105386326 |