(6-acetyloxy-5-benzoyloxy-2-ethenyl-7,10,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl) benzoate
| Internal ID | 6ffdd24a-8b55-4245-8041-29ead8c54c5a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (6-acetyloxy-5-benzoyloxy-2-ethenyl-7,10,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl) benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H42O10/c1-7-34(5)19-23(45-30(40)21-14-10-8-11-15-21)27-35(6)24(18-25(38)36(27,43)32(34)42)33(3,4)28(39)26(44-20(2)37)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,23-29,38-39,43H,1,18-19H2,2-6H3 |
| InChI Key | JSXWPPDJFPNHQS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H42O10 |
| Molecular Weight | 634.70 g/mol |
| Exact Mass | 634.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.73% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.91% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.93% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.22% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.83% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.14% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.63% | 96.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.57% | 94.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.61% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.91% | 97.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.62% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.14% | 82.69% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.00% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.87% | 93.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.76% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.61% | 94.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.54% | 91.07% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.53% | 83.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.76% | 100.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.45% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.16% | 90.00% |
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.
| Orthosiphon aristatus var. aristatus |
| PubChem | 85392559 |
| LOTUS | LTS0128884 |
| wikiData | Q105134638 |