(8S)-3,8,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
| Internal ID | ea7631d4-ba3f-40d0-a2dd-7e589d71dba8 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | (8S)-3,8,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one |
| SMILES (Canonical) | COC1=C2C=C(CCCCC(=O)C(CC3=CC2=C(C=C3)O)O)C(=C1OC)O |
| SMILES (Isomeric) | COC1=C2C=C(CCCCC(=O)[C@H](CC3=CC2=C(C=C3)O)O)C(=C1OC)O |
| InChI | InChI=1S/C21H24O6/c1-26-20-15-11-13(19(25)21(20)27-2)5-3-4-6-17(23)18(24)10-12-7-8-16(22)14(15)9-12/h7-9,11,18,22,24-25H,3-6,10H2,1-2H3/t18-/m0/s1 |
| InChI Key | MZTZAESUYFUQBV-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (8S)-3,8,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/537b1900-8611-11ee-832f-3be802b62fa6.jpg "2D Structure of (8S)-3,8,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-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 | 99.31% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.09% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.33% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.97% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.75% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.15% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.22% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.33% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.80% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.63% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.40% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.35% | 96.12% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.95% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.46% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.57% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.78% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.33% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.11% | 97.09% |
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.
| Myrica gale |
| PubChem | 162894727 |
| LOTUS | LTS0092226 |
| wikiData | Q105176056 |