6-(5,6-Dimethylhept-3-en-2-yl)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-ene-14,17-dione
| Internal ID | 970c11a2-9196-4f42-9157-e842cd8e1e47 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | 6-(5,6-dimethylhept-3-en-2-yl)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-ene-14,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)21-15-25-28(31-25)22-14-24(30)23-13-19(29)9-11-26(23,5)20(22)10-12-27(21,28)6/h7-8,14,16-18,20-21,23,25H,9-13,15H2,1-6H3 |
| InChI Key | NMGBSMCZPMYTKL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O3 |
| Molecular Weight | 424.60 g/mol |
| Exact Mass | 424.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 46.70 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 6-(5,6-Dimethylhept-3-en-2-yl)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-ene-14,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1de5e270-84ca-11ee-855e-11c81e7fed8c.jpg "2D Structure of 6-(5,6-Dimethylhept-3-en-2-yl)-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-ene-14,17-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.92% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.19% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.80% | 82.69% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 92.18% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.79% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.63% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.14% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.04% | 97.14% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.51% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.81% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.77% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.61% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.48% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.09% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.32% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.09% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.97% | 91.07% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.55% | 97.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.52% | 95.93% |
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.
| There are no matching plants. |
| PubChem | 74218300 |
| LOTUS | LTS0133930 |
| wikiData | Q104172632 |