4-Acetyl-5,10,16-trihydroxy-12,12-dimethyl-6-propan-2-yl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-trien-3-one
| Internal ID | 84d7a7e1-b138-457a-a28b-af98fb4fae71 |
| Taxonomy | Hydrocarbon derivatives > Tropones |
| IUPAC Name | 4-acetyl-5,10,16-trihydroxy-12,12-dimethyl-6-propan-2-yl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-trien-3-one |
| SMILES (Canonical) | CC(C)C1=CC2=C(C(=O)C(=C1O)C(=O)C)C34CCCC(C3C(C2OC4O)O)(C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C(=O)C(=C1O)C(=O)C)C34CCCC(C3C(C2OC4O)O)(C)C |
| InChI | InChI=1S/C23H30O6/c1-10(2)12-9-13-15(17(26)14(11(3)24)16(12)25)23-8-6-7-22(4,5)20(23)18(27)19(13)29-21(23)28/h9-10,18-21,25,27-28H,6-8H2,1-5H3 |
| InChI Key | JBKKPDPDDVIENY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O6 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 4-Acetyl-5,10,16-trihydroxy-12,12-dimethyl-6-propan-2-yl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-trien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/50347820-86e1-11ee-9b6c-ed76b22afd45.jpg "2D Structure of 4-Acetyl-5,10,16-trihydroxy-12,12-dimethyl-6-propan-2-yl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-trien-3-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 | 99.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.37% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.17% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.44% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.17% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.73% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.63% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.46% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.14% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.58% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.95% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.79% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.62% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.49% | 99.23% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.33% | 96.61% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.24% | 83.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.03% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.24% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.17% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.70% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.97% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.38% | 93.03% |
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.
| Salvia przewalskii |
| PubChem | 73240473 |
| LOTUS | LTS0205376 |
| wikiData | Q105124403 |