(3-Benzoyloxy-4,20-dihydroxy-12,17-dimethyl-6-methylidene-15-oxa-17-azaheptacyclo[12.4.1.15,8.01,11.02,8.09,18.012,16]icosan-10-yl) benzoate
| Internal ID | 325984f7-bda7-4bcf-ba76-f0db06b3a136 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (3-benzoyloxy-4,20-dihydroxy-12,17-dimethyl-6-methylidene-15-oxa-17-azaheptacyclo[12.4.1.15,8.01,11.02,8.09,18.012,16]icosan-10-yl) benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H37NO7/c1-17-14-34-22-24(42-30(39)18-10-6-4-7-11-18)26-33(2)15-20-16-35(26,28(22)36(3)32(33)41-20)27(34)25(23(37)21(17)29(34)38)43-31(40)19-12-8-5-9-13-19/h4-13,20-29,32,37-38H,1,14-16H2,2-3H3 |
| InChI Key | OHWILNPYYFWACM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H37NO7 |
| Molecular Weight | 583.70 g/mol |
| Exact Mass | 583.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (3-Benzoyloxy-4,20-dihydroxy-12,17-dimethyl-6-methylidene-15-oxa-17-azaheptacyclo[12.4.1.15,8.01,11.02,8.09,18.012,16]icosan-10-yl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/fd4a61c0-8605-11ee-95e3-c325d653c566.jpg "2D Structure of (3-Benzoyloxy-4,20-dihydroxy-12,17-dimethyl-6-methylidene-15-oxa-17-azaheptacyclo[12.4.1.15,8.01,11.02,8.09,18.012,16]icosan-10-yl) benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.09% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.27% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.11% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.45% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.87% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.33% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.01% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.18% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.61% | 83.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.34% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 85.17% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.92% | 94.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.65% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.07% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.19% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.50% | 97.14% |
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.
| Aconitum racemulosum |
| PubChem | 163195737 |
| LOTUS | LTS0192008 |
| wikiData | Q105192346 |