(1S,3S,10R,14S)-3,8-dihydroxy-5-methoxy-10,14-dimethyl-6-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-trien-13-one
| Internal ID | f1314e27-54d3-49ad-b0f8-7282a74fc6b5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,3S,10R,14S)-3,8-dihydroxy-5-methoxy-10,14-dimethyl-6-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-trien-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O5/c1-10(2)11-8-12(21)16-15(17(11)24-5)13(22)9-20-18(16,3)7-6-14(23)19(20,4)25-20/h8,10,13,21-22H,6-7,9H2,1-5H3/t13-,18+,19+,20-/m0/s1 |
| InChI Key | QBHJRAARLLAAJD-HAEOHBJNSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1S,3S,10R,14S)-3,8-dihydroxy-5-methoxy-10,14-dimethyl-6-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-trien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/24102e30-82e8-11ee-88db-b334a5247a44.jpg "2D Structure of (1S,3S,10R,14S)-3,8-dihydroxy-5-methoxy-10,14-dimethyl-6-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadeca-4,6,8-trien-13-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 | 99.43% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.67% | 99.15% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.46% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.83% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.85% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.63% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.49% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.68% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.67% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.04% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.07% | 93.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.89% | 96.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.87% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.19% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.51% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.82% | 92.88% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.51% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.36% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.00% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.54% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.32% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.25% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.22% | 97.25% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 80.09% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163061114 |
| LOTUS | LTS0182513 |
| wikiData | Q105217793 |