Salpichrolide C
| Internal ID | b69140c0-030a-48c9-aa0f-e6d0686518e6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 12-hydroxysteroids > 12-beta-hydroxysteroids |
| IUPAC Name | (4aR,4bS,10bR,12R,12aR)-12,12a-dihydroxy-8-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-4a-methyl-4b,5,6,10b,11,12-hexahydro-1H-chrysen-4-one |
| SMILES (Canonical) | CC(C1CC2C(O2)C(O1)O)C3=CC4=C(C=C3)C5CC(C6(CC=CC(=O)C6(C5CC4)C)O)O |
| SMILES (Isomeric) | C[C@H]([C@@H]1C[C@H]2[C@H](O2)[C@@H](O1)O)C3=CC4=C(C=C3)[C@@H]5C[C@H]([C@]6(CC=CC(=O)[C@@]6([C@H]5CC4)C)O)O |
| InChI | InChI=1S/C26H32O6/c1-13(19-12-20-23(31-20)24(29)32-19)14-5-7-16-15(10-14)6-8-18-17(16)11-22(28)26(30)9-3-4-21(27)25(18,26)2/h3-5,7,10,13,17-20,22-24,28-30H,6,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,20-,22+,23-,24+,25-,26-/m0/s1 |
| InChI Key | SJMPBOBISFMUJY-CHESOGDCSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C26H32O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | 2.10 |
| CHEMBL470235 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.48% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.08% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.70% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.10% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.67% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.00% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.68% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.04% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.89% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.42% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.29% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.25% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.04% | 96.77% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.40% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.81% | 86.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.73% | 85.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.09% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.80% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.72% | 97.14% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 80.19% | 95.71% |
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.
| Salpichroa origanifolia |
| PubChem | 44558901 |
| LOTUS | LTS0034901 |
| wikiData | Q105254422 |