(1R,3S,5S,8S,12S,13S)-8-hydroxy-1,5-dimethyl-9-methylidene-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadecan-15-one
| Internal ID | e2cfe7e8-4837-4b77-b39e-bbae879c131b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (1R,3S,5S,8S,12S,13S)-8-hydroxy-1,5-dimethyl-9-methylidene-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadecan-15-one |
| SMILES (Canonical) | CC(=C)C1CC(=O)C2(C1CCC(=C)C(CCC3(C(C2)O3)C)O)C |
| SMILES (Isomeric) | CC(=C)[C@H]1CC(=O)[C@]2([C@H]1CCC(=C)[C@H](CC[C@]3([C@H](C2)O3)C)O)C |
| InChI | InChI=1S/C20H30O3/c1-12(2)14-10-17(22)19(4)11-18-20(5,23-18)9-8-16(21)13(3)6-7-15(14)19/h14-16,18,21H,1,3,6-11H2,2,4-5H3/t14-,15+,16+,18+,19-,20+/m1/s1 |
| InChI Key | XPTSDPRUKSPAHC-RBLKCTMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (1R,3S,5S,8S,12S,13S)-8-hydroxy-1,5-dimethyl-9-methylidene-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadecan-15-one](https://plantaedb.com/storage/docs/compounds/2023/07/8a590d20-248b-11ee-a030-090427d70bf0.jpg "2D Structure of (1R,3S,5S,8S,12S,13S)-8-hydroxy-1,5-dimethyl-9-methylidene-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadecan-15-one")
| 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 | 95.79% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.40% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.97% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.68% | 85.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 90.23% | 95.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.24% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.76% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.24% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.73% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.57% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.28% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.53% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.52% | 97.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.07% | 91.19% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.68% | 97.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.66% | 97.79% |
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.
| Dendrobium densiflorum |
| Polygonatum kingianum |