3,9,15-Trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-7-one
| Internal ID | 1782eac8-f369-4983-82d4-1b63ac7d1ff4 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | 3,9,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-7-one |
| SMILES (Canonical) | COC1=C2C=C(CCCCC(CC(=O)C3=CC2=C(C=C3)O)O)C(=C1OC)O |
| SMILES (Isomeric) | COC1=C2C=C(CCCCC(CC(=O)C3=CC2=C(C=C3)O)O)C(=C1OC)O |
| InChI | InChI=1S/C21H24O6/c1-26-20-16-10-13(19(25)21(20)27-2)5-3-4-6-14(22)11-18(24)12-7-8-17(23)15(16)9-12/h7-10,14,22-23,25H,3-6,11H2,1-2H3 |
| InChI Key | FNSIEKLXCBZZLB-UHFFFAOYSA-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 | 3.20 |
| There are no found synonyms. |
![2D Structure of 3,9,15-Trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/82eed7c0-85c0-11ee-9253-9bfb8250edf7.jpg "2D Structure of 3,9,15-Trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-7-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 | 98.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.65% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.76% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.08% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.81% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.02% | 95.89% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.89% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.74% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.87% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.67% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.56% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.20% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.72% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.13% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.12% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.02% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.66% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.48% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.42% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.90% | 97.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.85% | 95.53% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.60% | 93.04% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.43% | 91.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.32% | 94.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.27% | 95.12% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.57% | 96.38% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.22% | 91.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.82% | 93.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.66% | 95.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.46% | 82.67% |
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.
| Nageia nagi |
| PubChem | 162884179 |
| LOTUS | LTS0057280 |
| wikiData | Q104998487 |