4-(hydroxymethyl)-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
| Internal ID | 26c8fcb1-439b-4981-98d1-7b5752b036c7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
| IUPAC Name | 4-(hydroxymethyl)-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| SMILES (Canonical) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)CO)O)O)C)C)C |
| SMILES (Isomeric) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)CO)O)O)C)C)C |
| InChI | InChI=1S/C31H52O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-31(7)26-24(33)18-23-22(11-12-25(34)29(23,5)19-32)28(26,4)16-17-30(21,31)6/h9,14,18,20-22,24-26,32-34H,10-13,15-17,19H2,1-8H3 |
| InChI Key | ZACSSZNPODCJNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O4 |
| Molecular Weight | 488.70 g/mol |
| Exact Mass | 488.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 4-(hydroxymethyl)-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1a5773a0-8603-11ee-9d72-5ddc63761c1a.jpg "2D Structure of 4-(hydroxymethyl)-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol")
| 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 | 98.01% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.35% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.83% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.73% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.82% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.67% | 99.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.11% | 95.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.72% | 87.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.33% | 91.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.28% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.24% | 94.75% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.22% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.28% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.52% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.29% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.61% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.27% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.44% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.99% | 97.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.39% | 96.61% |
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.
| Momordica balsamina |
| PubChem | 75068226 |
| LOTUS | LTS0147946 |
| wikiData | Q105369767 |