(1R,2R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
| Internal ID | a7417ddd-f247-455f-b26f-5ded54537c2b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | (1R,2R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol |
| SMILES (Canonical) | CC(C)C1CCC2(C(O2)C(CC3(C(C1O)O3)C)O)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@]2([C@H](O2)[C@@H](C[C@]3([C@@H]([C@@H]1O)O3)C)O)C |
| InChI | InChI=1S/C15H26O4/c1-8(2)9-5-6-14(3)12(18-14)10(16)7-15(4)13(19-15)11(9)17/h8-13,16-17H,5-7H2,1-4H3/t9-,10+,11+,12+,13+,14-,15-/m0/s1 |
| InChI Key | DGXAQSCCBAJJAS-CHTYRUGESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 65.50 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r4s6r7r8s11s-411-dimethyl-8-propan-2-yl-512-dioxatricyclo910046dodecane-27-diol.jpg "2D Structure of (1R,2R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.74% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.10% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.06% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.84% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.41% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.86% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.20% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.24% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.88% | 97.14% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.25% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.88% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 80.67% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.40% | 96.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.34% | 93.56% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.26% | 92.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.15% | 85.31% |
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.
| Santolina chamaecyparissus |
| PubChem | 163185225 |
| LOTUS | LTS0070434 |
| wikiData | Q104979448 |