3,8-Dihydroxy-4,8,12-trimethyl-15-methylidene-13,18-dioxatricyclo[10.3.2.14,7]octadecane-11,14-dione
| Internal ID | 797ef345-5195-4ca3-a46f-a44234df4591 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 3,8-dihydroxy-4,8,12-trimethyl-15-methylidene-13,18-dioxatricyclo[10.3.2.14,7]octadecane-11,14-dione |
| SMILES (Canonical) | CC1(CCC(=O)C2(CCC(CC(C3(CCC1O3)C)O)C(=C)C(=O)O2)C)O |
| SMILES (Isomeric) | CC1(CCC(=O)C2(CCC(CC(C3(CCC1O3)C)O)C(=C)C(=O)O2)C)O |
| InChI | InChI=1S/C20H30O6/c1-12-13-5-9-19(3,26-17(12)23)14(21)6-8-18(2,24)16-7-10-20(4,25-16)15(22)11-13/h13,15-16,22,24H,1,5-11H2,2-4H3 |
| InChI Key | MMFMKUFASHHEIN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 3,8-Dihydroxy-4,8,12-trimethyl-15-methylidene-13,18-dioxatricyclo[10.3.2.14,7]octadecane-11,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/38-dihydroxy-4812-trimethyl-15-methylidene-1318-dioxatricyclo1032147octadecane-1114-dione.jpg "2D Structure of 3,8-Dihydroxy-4,8,12-trimethyl-15-methylidene-13,18-dioxatricyclo[10.3.2.14,7]octadecane-11,14-dione")
| 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 | 96.29% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.69% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.33% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.58% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.33% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.03% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.42% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.70% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.40% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.74% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.09% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.61% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.27% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.83% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.62% | 97.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.05% | 93.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.79% | 96.43% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.58% | 89.63% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.36% | 95.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.55% | 94.00% |
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 | 73190623 |
| LOTUS | LTS0217775 |
| wikiData | Q105167715 |