17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 4bb64d3d-05fd-46e3-b2c8-f6d73bbdd01d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C |
| SMILES (Isomeric) | CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C |
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,18,20-26,29H,8-17H2,1-6H3 |
| InChI Key | ICOBDHPNAUQIMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O |
| Molecular Weight | 400.70 g/mol |
| Exact Mass | 400.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of 17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/40226120-8499-11ee-82ec-25ded26302d7.jpg "2D Structure of 17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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 | 96.00% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 95.79% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.69% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.09% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.85% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.50% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.14% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.68% | 96.43% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.25% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.85% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.39% | 98.10% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.58% | 97.47% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.01% | 82.69% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.99% | 96.03% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.67% | 85.31% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.60% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.20% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.11% | 97.93% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 80.97% | 98.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.96% | 96.61% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.84% | 95.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.52% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.13% | 100.00% |
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.
| Helianthus annuus |
| PubChem | 76083057 |
| LOTUS | LTS0200878 |
| wikiData | Q105111090 |