Genipatriol
| Internal ID | 89c90e21-1e82-4c6d-8f55-71993b81b716 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3S,5R,6R,8R,11S,12S,15R,16R)-15-[(Z,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O3/c1-19(17-31)8-7-9-20(2)21-12-13-28(6)24-11-10-23-26(3,4)25(33)22(32)16-30(23)18-29(24,30)15-14-27(21,28)5/h8,20-25,31-33H,7,9-18H2,1-6H3/b19-8-/t20-,21-,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1 |
| InChI Key | UXFZXFBUDXMMSF-NGDZSYLPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 7.60 |
| CHEMBL476697 |
| (1S,3S,5R,6R,8R,11S,12S,15R,16R)-15-[(Z,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.02% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.52% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.00% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.78% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.37% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.84% | 94.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.63% | 94.45% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.22% | 95.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.97% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.87% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.72% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.04% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.61% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.25% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.05% | 97.79% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.94% | 95.58% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.60% | 93.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.97% | 96.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.42% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.09% | 92.86% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.75% | 90.08% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.31% | 98.10% |
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.
| Genipa spruceana |
| PubChem | 11134292 |
| LOTUS | LTS0218919 |
| wikiData | Q105280761 |