(2R,5S,7R,14R,15S)-9,12,14,18-tetrahydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),8,12,17-tetraen-10-one
| Internal ID | 89f35a39-829e-4561-bf7f-a828d939b029 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (2R,5S,7R,14R,15S)-9,12,14,18-tetrahydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),8,12,17-tetraen-10-one |
| SMILES (Canonical) | CC1C(C2=C(C3=C(C(=C2O1)O)C4(CCC5CC5(C4=C(C3=O)O)C)C)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H](C2=C(C3=C(C(=C2O1)O)[C@]4(CC[C@H]5C[C@]5(C4=C(C3=O)O)C)C)O)O |
| InChI | InChI=1S/C20H22O6/c1-7-12(21)10-13(22)9-11(15(24)17(10)26-7)19(2)5-4-8-6-20(8,3)18(19)16(25)14(9)23/h7-8,12,21-22,24-25H,4-6H2,1-3H3/t7-,8-,12-,19+,20+/m0/s1 |
| InChI Key | QPWSRTWYKXMXRY-PHWXQYABSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2R,5S,7R,14R,15S)-9,12,14,18-tetrahydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),8,12,17-tetraen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/1bab2d90-85f4-11ee-9d35-6d09ea622e72.jpg "2D Structure of (2R,5S,7R,14R,15S)-9,12,14,18-tetrahydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),8,12,17-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.56% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.63% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.47% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.42% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.03% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.99% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.75% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.67% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.48% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.35% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.94% | 95.38% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 82.26% | 92.67% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.88% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.83% | 96.77% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.82% | 94.42% |
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 | 52949735 |
| LOTUS | LTS0128666 |
| wikiData | Q105225638 |