(1R,3R,4R,6R,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodecan-3-ol
| Internal ID | 2b9a7c4d-d77e-4808-acad-1dcc04b35f83 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (1R,3R,4R,6R,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodecan-3-ol |
| SMILES (Canonical) | CC(C)(C1CC23CC(C(CC2(O1)OCO3)O)CC=C)O |
| SMILES (Isomeric) | CC(C)([C@H]1C[C@]23C[C@H]([C@@H](C[C@@]2(O1)OCO3)O)CC=C)O |
| InChI | InChI=1S/C15H24O5/c1-4-5-10-6-14-8-12(13(2,3)17)20-15(14,7-11(10)16)19-9-18-14/h4,10-12,16-17H,1,5-9H2,2-3H3/t10-,11-,12-,14-,15+/m1/s1 |
| InChI Key | LDDJVKMZEOKUEY-FWZIUSJTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O5 |
| Molecular Weight | 284.35 g/mol |
| Exact Mass | 284.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1R,3R,4R,6R,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodecan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c2d23f30-87f5-11ee-af5f-b5e4330a576e.jpg "2D Structure of (1R,3R,4R,6R,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodecan-3-ol")
| 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 | 98.27% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.22% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.33% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.11% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.63% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.76% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.94% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.34% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.42% | 95.50% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 82.36% | 99.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.25% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.23% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.92% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.86% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.18% | 95.38% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 80.08% | 97.69% |
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.
| Illicium tashiroi |
| PubChem | 101678883 |
| LOTUS | LTS0217938 |
| wikiData | Q105150172 |