(2S,5S,7R,8S)-12,18-dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,14,17-tetraen-10-one
| Internal ID | e54bf8f2-e3dc-4d37-852c-6c68029dff7d |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (2S,5S,7R,8S)-12,18-dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,14,17-tetraen-10-one |
| SMILES (Canonical) | CC1=CC2=C(C3=C(C(=C2O1)O)C4(CCC5CC5(C4CC3=O)C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C3=C(C(=C2O1)O)[C@]4(CC[C@H]5C[C@]5([C@@H]4CC3=O)C)C)O |
| InChI | InChI=1S/C20H22O4/c1-9-6-11-16(22)14-12(21)7-13-19(2,5-4-10-8-20(10,13)3)15(14)17(23)18(11)24-9/h6,10,13,22-23H,4-5,7-8H2,1-3H3/t10-,13+,19-,20+/m0/s1 |
| InChI Key | YLFXZDORYFPSOA-DLVGZBSQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (2S,5S,7R,8S)-12,18-dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,14,17-tetraen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/4e167980-8448-11ee-bc43-27cecc677dd5.jpg "2D Structure of (2S,5S,7R,8S)-12,18-dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,14,17-tetraen-10-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 | 99.02% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.23% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.66% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.48% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.27% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.86% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.46% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.18% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.36% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.86% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.67% | 82.69% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.25% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.79% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.63% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.56% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.44% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.25% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.16% | 95.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.11% | 99.15% |
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.
| Teucrium polium |
| PubChem | 52949744 |
| LOTUS | LTS0252084 |
| wikiData | Q105350112 |