10,13-dimethyl-17-[4-(3-methyl-2-propan-2-yloxiran-2-yl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | aa737f1b-8645-4ed7-83e1-3a5fde549eea |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > C24-propyl sterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-[4-(3-methyl-2-propan-2-yloxiran-2-yl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1C(O1)(CCC(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C(C)C |
| SMILES (Isomeric) | CC1C(O1)(CCC(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C(C)C |
| InChI | InChI=1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3 |
| InChI Key | XUBCLKHKJZCPFZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O2 |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of 10,13-dimethyl-17-[4-(3-methyl-2-propan-2-yloxiran-2-yl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0a13ed00-8657-11ee-92ac-d5a807d23fd7.jpg "2D Structure of 10,13-dimethyl-17-[4-(3-methyl-2-propan-2-yloxiran-2-yl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.48% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.04% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.72% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.68% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.88% | 93.56% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.83% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.73% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.18% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.16% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.06% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.77% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.24% | 90.71% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.10% | 98.46% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.61% | 98.05% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.45% | 98.10% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.91% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.51% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.56% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.37% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.36% | 96.43% |
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.
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| There are no matching plants. |
| PubChem | 3313962 |
| LOTUS | LTS0063870 |
| wikiData | Q105342068 |