11-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-17,18-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadecan-3-ol
| Internal ID | 0154052e-3af4-4cfb-834d-bd27f5e09510 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | 11-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-17,18-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadecan-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-9-10-22-25-23(12-13-26(21,22)5)27(6)14-11-20(29)15-28(27)16-24(25)30-31-28/h7-8,17-25,29H,9-16H2,1-6H3 |
| InChI Key | POMQYGOTGJUISL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H46O3 |
| Molecular Weight | 430.70 g/mol |
| Exact Mass | 430.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 11-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-17,18-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadecan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5c214e00-85d5-11ee-a7b9-8d18c4d5077e.jpg "2D Structure of 11-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-17,18-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadecan-3-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.67% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.41% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 94.35% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.45% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.77% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.67% | 85.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.96% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.35% | 90.17% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.32% | 99.18% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.32% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.14% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.45% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.08% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.59% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.51% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.25% | 96.61% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 82.73% | 96.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.20% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.32% | 95.58% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 81.15% | 97.86% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.11% | 93.67% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.92% | 98.35% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.55% | 92.86% |
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 | 163004061 |
| LOTUS | LTS0113039 |
| wikiData | Q105212521 |