(9R)-16-methoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
| Internal ID | a2138165-5ba2-4621-ac5e-335f46c605ae |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | (9R)-16-methoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol |
| SMILES (Canonical) | COC1=CC2=CC(=C1O)C3=C(C=CC(=C3)CCC(CCCC2)O)O |
| SMILES (Isomeric) | COC1=CC2=CC(=C1O)C3=C(C=CC(=C3)CC[C@@H](CCCC2)O)O |
| InChI | InChI=1S/C20H24O4/c1-24-19-12-14-4-2-3-5-15(21)8-6-13-7-9-18(22)16(10-13)17(11-14)20(19)23/h7,9-12,15,21-23H,2-6,8H2,1H3/t15-/m1/s1 |
| InChI Key | AVDQDLSGSIPLPN-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (9R)-16-methoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol](https://plantaedb.com/storage/docs/compounds/2023/11/9r-16-methoxytricyclo1231126nonadeca-11724619141815-hexaene-3917-triol.jpg "2D Structure of (9R)-16-methoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol")
| 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 | 98.64% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.52% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.68% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.15% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.84% | 88.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.93% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.51% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.30% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.80% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.71% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.18% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.38% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.28% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.44% | 91.79% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.06% | 93.33% |
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.
To see more specific details click the taxa you are interested in.
| Juglans regia |
| PubChem | 162871159 |
| LOTUS | LTS0161910 |
| wikiData | Q104919375 |