Baccharis oxide
| Internal ID | 34d5fff2-82ee-4d17-b8bb-1a54d75a8333 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | (1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-hexamethyl-7-(4-methylpent-3-enyl)-19-oxapentacyclo[14.2.1.01,14.02,11.05,10]nonadecane |
| SMILES (Canonical) | CC(=CCCC1(CCC2(C3CCC4C(C5CCC4(C3(CCC2(C1)C)C)O5)(C)C)C)C)C |
| SMILES (Isomeric) | CC(=CCC[C@@]1(CC[C@@]2([C@H]3CC[C@@H]4[C@@]5([C@@]3(CC[C@]2(C1)C)C)CC[C@@H](C4(C)C)O5)C)C)C |
| InChI | InChI=1S/C30H50O/c1-21(2)10-9-14-26(5)16-18-28(7)23-12-11-22-25(3,4)24-13-15-30(22,31-24)29(23,8)19-17-27(28,6)20-26/h10,22-24H,9,11-20H2,1-8H3/t22-,23+,24-,26+,27-,28+,29+,30+/m0/s1 |
| InChI Key | FPGOBAVTXMFTQR-LXERUMJASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 9.90 |
| (2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)-1,1,4b,6a,8,10a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydro-2H-2,4a-epoxychrysene |
| 35060-26-5 |
| CHEBI:63463 |
| DTXSID001103893 |
| C20189 |
| Q27132636 |
| (1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-hexamethyl-7-(4-methylpent-3-enyl)-19-oxapentacyclo[14.2.1.01,14.02,11.05,10]nonadecane |
| (2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)-Hexadecahydro-1,1,4b,6a,8,10a-hexamethyl-8-(4-methyl-3-penten-1-yl)-2H-2,4a-epoxychrysene |
| 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 | 98.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.14% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.84% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.08% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.51% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.40% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.20% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.89% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.30% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.07% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.87% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.65% | 95.58% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.62% | 92.94% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.45% | 97.50% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.21% | 89.44% |
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.
| Baccharis intermedia |
| Baccharis obtusifolia |
| Baccharis patagonica |
| Baccharis scoparia |
| Baccharis ulicina |
| Diplostephium meyenii |
| Gutierrezia sarothrae |
| Gutierrezia solbrigii |
| PubChem | 14262611 |
| LOTUS | LTS0136014 |
| wikiData | Q27132636 |