17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,12-triol
| Internal ID | 16a353d1-7733-4af8-8aa3-5e92d20070b9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,12-triol |
| SMILES (Canonical) | CC(=CCCC(C)(C1CCC2(C1C(C(C3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)O)C)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(C1CCC2(C1C(C(C3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)O)C)O)C |
| InChI | InChI=1S/C30H52O4/c1-18(2)10-9-14-30(8,34)19-11-16-28(6)22(19)23(32)24(33)25-27(5)15-13-21(31)26(3,4)20(27)12-17-29(25,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3 |
| InChI Key | JKWYDLXVDVIKTQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O4 |
| Molecular Weight | 476.70 g/mol |
| Exact Mass | 476.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,12-triol](https://plantaedb.com/storage/docs/compounds/2023/11/f7d08270-85b4-11ee-83e9-93630bb25dc9.jpg "2D Structure of 17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,12-triol")
| 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 | 97.68% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.77% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.17% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.38% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.24% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.80% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.70% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.29% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.69% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.73% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.67% | 89.34% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.89% | 91.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.25% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.15% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.09% | 99.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.04% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.75% | 89.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.08% | 90.24% |
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.
| Proboscidea louisianica |
| PubChem | 162860226 |
| LOTUS | LTS0191675 |
| wikiData | Q105130565 |