10-Hydroperoxy-13-hydroxy-4,13,17-trimethyl-9-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadecan-16-one
| Internal ID | f901f571-eff4-40b4-aa49-8e8002a7da5b |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 10-hydroperoxy-13-hydroxy-4,13,17-trimethyl-9-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadecan-16-one |
| SMILES (Canonical) | CC1C2CCC3(C(O3)CCC(=C)C(CCC(C(C2)OC1=O)(C)O)OO)C |
| SMILES (Isomeric) | CC1C2CCC3(C(O3)CCC(=C)C(CCC(C(C2)OC1=O)(C)O)OO)C |
| InChI | InChI=1S/C20H32O6/c1-12-5-6-16-20(4,25-16)10-7-14-11-17(24-18(21)13(14)2)19(3,22)9-8-15(12)26-23/h13-17,22-23H,1,5-11H2,2-4H3 |
| InChI Key | LTTQHIVHWORRDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O6 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 10-Hydroperoxy-13-hydroxy-4,13,17-trimethyl-9-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadecan-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/870bb4c0-87ca-11ee-9bbc-e9b7541f4e82.jpg "2D Structure of 10-Hydroperoxy-13-hydroxy-4,13,17-trimethyl-9-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadecan-16-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.81% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.64% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.88% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.77% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.12% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.97% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.22% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.23% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.55% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.41% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.32% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.22% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.93% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.88% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.18% | 86.33% |
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 | 73236841 |
| LOTUS | LTS0082255 |
| wikiData | Q105157164 |