(1R,2S,5R,6S,8Z,10S,12S)-6,10-dihydroxy-1,5,9-trimethyl-13-methylidene-15,18-dioxatricyclo[10.3.2.12,5]octadec-8-en-14-one
| Internal ID | 959c742e-1669-4e99-9692-77e1dfcac045 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,2S,5R,6S,8Z,10S,12S)-6,10-dihydroxy-1,5,9-trimethyl-13-methylidene-15,18-dioxatricyclo[10.3.2.12,5]octadec-8-en-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O5/c1-12-5-6-16(22)19(3)10-8-17(24-19)20(4)9-7-14(11-15(12)21)13(2)18(23)25-20/h5,14-17,21-22H,2,6-11H2,1,3-4H3/b12-5-/t14-,15-,16-,17-,19+,20+/m0/s1 |
| InChI Key | SCGKPOUJRGGFJA-VWOBITONSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,2S,5R,6S,8Z,10S,12S)-6,10-dihydroxy-1,5,9-trimethyl-13-methylidene-15,18-dioxatricyclo[10.3.2.12,5]octadec-8-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/62922ac0-84ab-11ee-85a6-43da11c8194e.jpg "2D Structure of (1R,2S,5R,6S,8Z,10S,12S)-6,10-dihydroxy-1,5,9-trimethyl-13-methylidene-15,18-dioxatricyclo[10.3.2.12,5]octadec-8-en-14-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 |
|---|---|---|---|---|
| CHEMBL1871 | P10275 | Androgen Receptor | 92.70% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.13% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.74% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.32% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.91% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.41% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.74% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.31% | 93.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.31% | 89.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.05% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.58% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.32% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.34% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.87% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.84% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.14% | 93.56% |
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.
| There are no matching plants. |
| PubChem | 42619498 |
| LOTUS | LTS0021455 |
| wikiData | Q105250102 |