3,10,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-9,11-dione
| Internal ID | 4086ca7e-f440-48bf-8848-b43ebb9fbaf0 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | 3,10,17-trihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-9,11-dione |
| SMILES (Canonical) | C1CC(=O)C(C(=O)CCC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O |
| SMILES (Isomeric) | C1CC(=O)C(C(=O)CCC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O |
| InChI | InChI=1S/C19H18O5/c20-15-5-1-11-3-7-17(22)19(24)18(23)8-4-12-2-6-16(21)14(10-12)13(15)9-11/h1-2,5-6,9-10,19-21,24H,3-4,7-8H2 |
| InChI Key | XLFPSTUJYBEZIQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H18O5 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3,10,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-9,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/31017-trihydroxytricyclo1231126nonadeca-11724619141815-hexaene-911-dione.jpg "2D Structure of 3,10,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-9,11-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 | 97.48% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.85% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.40% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.20% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.82% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.35% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.92% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.40% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.48% | 90.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.26% | 96.00% |
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.
| Alnus japonica |
| Kadsura angustifolia |
| Schisandra micrantha |
| Schisandra sphenanthera |
| PubChem | 86295273 |
| LOTUS | LTS0055085 |
| wikiData | Q105350791 |