10,13-dimethyl-17-(6-methyl-5-methylideneoctan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 29baf408-9804-4ef2-91ee-5b3f727d38cc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-(6-methyl-5-methylideneoctan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CCC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | CCC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19,21,23-27,30H,3,7-9,11-18H2,1-2,4-6H3 |
| InChI Key | CSTHWUUMHMZMTM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.70 g/mol |
| Exact Mass | 412.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of 10,13-dimethyl-17-(6-methyl-5-methylideneoctan-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/ad3095a0-8543-11ee-8065-25bb8642b618.jpg "2D Structure of 10,13-dimethyl-17-(6-methyl-5-methylideneoctan-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 | 98.36% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.95% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.43% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.89% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.30% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.48% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.33% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.69% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.91% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.52% | 98.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.05% | 90.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.14% | 89.05% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.16% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.31% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.07% | 82.69% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.28% | 98.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.12% | 95.88% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.08% | 93.04% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.07% | 90.24% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.57% | 97.79% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 14102022 |
| LOTUS | LTS0188222 |
| wikiData | Q104969553 |