Inoterpene E
| Internal ID | 7280df1d-5de3-4cce-925d-93c1604e3607 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,5R,10S,13R,14R,17R)-17-[(2R)-6-hydroperoxy-1-hydroxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O4/c1-26(2,34-33)15-8-9-20(19-31)21-12-17-30(7)23-10-11-24-27(3,4)25(32)14-16-28(24,5)22(23)13-18-29(21,30)6/h8,15,20-21,24-25,31-33H,9-14,16-19H2,1-7H3/t20-,21+,24-,25-,28+,29+,30-/m0/s1 |
| InChI Key | WKQMXHFMAPGWJI-ABNKVAORSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50O4 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 474.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 5.90 |
| CHEBI:197654 |
| (3S,5R,10S,13R,14R,17R)-17-[(2R)-6-hydroperoxy-1-hydroxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.64% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.42% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.37% | 95.93% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.86% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.28% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.25% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.05% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.91% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.09% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.10% | 94.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.30% | 95.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.64% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.66% | 95.50% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.51% | 97.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.47% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.64% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.60% | 89.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.35% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.18% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.05% | 92.94% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.81% | 94.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.70% | 100.00% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.62% | 93.33% |
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.
| There are no matching plants. |
| PubChem | 139583124 |
| LOTUS | LTS0124114 |
| wikiData | Q75053081 |