methyl (3R,4aR,4bS,7S,8S,10bS,12aS)-7-(3-methoxy-3-oxopropyl)-3,4b,7,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,5,6,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylate
| Internal ID | 50a69ad3-5cc0-4e78-933c-48da928634dd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | methyl (3R,4aR,4bS,7S,8S,10bS,12aS)-7-(3-methoxy-3-oxopropyl)-3,4b,7,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,5,6,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylate |
| SMILES (Canonical) | CC(=C)C1CCC2=C(C1(C)CCC(=O)OC)CCC3(C2(CCC4(C3CC(CC4)(C)C(=O)OC)C)C)C |
| SMILES (Isomeric) | CC(=C)[C@@H]1CCC2=C([C@@]1(C)CCC(=O)OC)CC[C@@]3([C@@]2(CC[C@@]4([C@H]3C[C@](CC4)(C)C(=O)OC)C)C)C |
| InChI | InChI=1S/C32H50O4/c1-21(2)22-10-11-24-23(30(22,5)14-13-26(33)35-8)12-15-32(7)25-20-29(4,27(34)36-9)17-16-28(25,3)18-19-31(24,32)6/h22,25H,1,10-20H2,2-9H3/t22-,25+,28+,29+,30-,31+,32-/m0/s1 |
| InChI Key | POJZWKTYYJLKDA-WUKONHSLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O4 |
| Molecular Weight | 498.70 g/mol |
| Exact Mass | 498.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
| 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 | 99.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.85% | 97.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.01% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.55% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.49% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.36% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.82% | 93.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.34% | 94.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.22% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.87% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.76% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.77% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.79% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.52% | 94.75% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.51% | 94.78% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.20% | 92.50% |
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.
| Sandoricum koetjape |
| PubChem | 162982949 |
| LOTUS | LTS0203138 |
| wikiData | Q105212462 |