12,18-Dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,17-trien-10-one
| Internal ID | bfe959c4-f652-48d3-83a9-31ac2ce1665d |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 12,18-dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,17-trien-10-one |
| SMILES (Canonical) | CC1CC2=C(C3=C(C(=C2O1)O)C4(CCC5CC5(C4CC3=O)C)C)O |
| SMILES (Isomeric) | CC1CC2=C(C3=C(C(=C2O1)O)C4(CCC5CC5(C4CC3=O)C)C)O |
| InChI | InChI=1S/C20H24O4/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/h9-10,13,22-23H,4-8H2,1-3H3 |
| InChI Key | GPIGVCZXQKXKDE-UHFFFAOYSA-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) | 66.80 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 12,18-Dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,17-trien-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/2b4f7710-8739-11ee-b5d9-cf70f19d46a7.jpg "2D Structure of 12,18-Dihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,17-trien-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 | 97.33% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.07% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.05% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.68% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.47% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.38% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.60% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.51% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.28% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.48% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.10% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.44% | 95.38% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 83.28% | 95.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.02% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.83% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.28% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.98% | 94.45% |
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 | 14467640 |
| LOTUS | LTS0136229 |
| wikiData | Q105014843 |