4,10,13-trimethyl-17-(6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | aa978d53-d5ca-44f0-b42f-f68a99de2c40 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | 4,10,13-trimethyl-17-(6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)C=CC(C(C)C)C(=C)C)C)C)O |
| SMILES (Isomeric) | CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)C=CC(C(C)C)C(=C)C)C)C)O |
| InChI | InChI=1S/C31H50O/c1-19(2)23(20(3)4)10-9-21(5)25-13-14-27-24-11-12-26-22(6)29(32)16-18-31(26,8)28(24)15-17-30(25,27)7/h9-11,20-23,25-29,32H,1,12-18H2,2-8H3 |
| InChI Key | MIMFGBDIMNNWHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O |
| Molecular Weight | 438.70 g/mol |
| Exact Mass | 438.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of 4,10,13-trimethyl-17-(6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/37291ca0-85aa-11ee-8618-815476099227.jpg "2D Structure of 4,10,13-trimethyl-17-(6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.61% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.59% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.44% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.94% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.20% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.57% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.79% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.63% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.07% | 85.30% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.83% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.52% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.99% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.32% | 99.43% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.33% | 92.86% |
| CHEMBL268 | P43235 | Cathepsin K | 83.21% | 96.85% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.64% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.84% | 98.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.77% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.54% | 89.00% |
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.
| Viola reichenbachiana |
| PubChem | 163076181 |
| LOTUS | LTS0203637 |
| wikiData | Q105165073 |