2,7-Dihydroxy-9,9-dimethyl-3-propan-2-yl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,7,12-pentaen-6-one
| Internal ID | 0257d91d-c1e6-486b-b6fc-ba154e15f558 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 2,7-dihydroxy-9,9-dimethyl-3-propan-2-yl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,7,12-pentaen-6-one |
| SMILES (Canonical) | CC(C)C1=C(C2=C3C(=C1)C(=O)C(=C4C3=C(O2)CCC4(C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C2=C3C(=C1)C(=O)C(=C4C3=C(O2)CCC4(C)C)O)O |
| InChI | InChI=1S/C19H20O4/c1-8(2)9-7-10-12-13-11(23-18(12)16(9)21)5-6-19(3,4)14(13)17(22)15(10)20/h7-8,21-22H,5-6H2,1-4H3 |
| InChI Key | QMMHCNLBCCSLSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O4 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 2,7-Dihydroxy-9,9-dimethyl-3-propan-2-yl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,7,12-pentaen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/500591d0-8607-11ee-b56d-156468cc00ff.jpg "2D Structure of 2,7-Dihydroxy-9,9-dimethyl-3-propan-2-yl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,7,12-pentaen-6-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 | 99.33% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.69% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.13% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.99% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.80% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.70% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.62% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.28% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.32% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.03% | 94.75% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.93% | 95.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.05% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.72% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.61% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.34% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.35% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.19% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.25% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.78% | 96.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.84% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.49% | 93.04% |
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.
| Plectranthus hadiensis |
| PubChem | 12991810 |
| LOTUS | LTS0208157 |
| wikiData | Q105224058 |