9,13-Dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12,13-triol
| Internal ID | 1139a18f-4eed-467b-b858-5294e2caca7b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Eunicellane and asbestinane diterpenoids |
| IUPAC Name | 9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12,13-triol |
| SMILES (Canonical) | CC(C)C1CCC(=C)C2C1C3C(CCC(C(CC2O3)(C)O)O)(C)O |
| SMILES (Isomeric) | CC(C)C1CCC(=C)C2C1C3C(CCC(C(CC2O3)(C)O)O)(C)O |
| InChI | InChI=1S/C20H34O4/c1-11(2)13-7-6-12(3)16-14-10-20(5,23)15(21)8-9-19(4,22)18(24-14)17(13)16/h11,13-18,21-23H,3,6-10H2,1-2,4-5H3 |
| InChI Key | BEAXQAULPSVWQY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 9,13-Dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/913-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo661027pentadecane-91213-triol.jpg "2D Structure of 9,13-Dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12,13-triol")
| 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 | 92.16% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.08% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.71% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.43% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.35% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.46% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.57% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.67% | 90.17% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.50% | 98.46% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.22% | 97.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.72% | 95.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.51% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.75% | 93.04% |
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.
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| There are no matching plants. |
| PubChem | 14313367 |
| LOTUS | LTS0091344 |
| wikiData | Q104932582 |