Forskoditerpenoside B
| Internal ID | 6c2efcd7-a8a6-41ac-8733-f9af07f79b53 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10b-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(CCC(C2(C3(C(=O)CC(OC3(C1OC(=O)C)C)(C)C=C)O)C)OC4C(C(C(C(O4)CO)O)O)O)(C)C |
| SMILES (Isomeric) | CC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)([C@]4(C(=O)C[C@](O[C@@]4([C@H]1OC(=O)C)C)(C)C=C)O)C |
| InChI | InChI=1S/C30H46O13/c1-9-27(6)12-17(34)30(38)28(7)18(42-25-21(37)20(36)19(35)16(13-31)41-25)10-11-26(4,5)23(28)22(39-14(2)32)24(40-15(3)33)29(30,8)43-27/h9,16,18-25,31,35-38H,1,10-13H2,2-8H3/t16-,18+,19-,20+,21-,22+,23+,24+,25+,27+,28+,29-,30+/m1/s1 |
| InChI Key | MJXRITGQSVKANC-RUGSHEQUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H46O13 |
| Molecular Weight | 614.70 g/mol |
| Exact Mass | 614.29384152 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | 0.00 |
| [(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10b-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] acetate |
| 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 | 98.03% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.91% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.60% | 96.09% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 94.27% | 82.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.12% | 85.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.94% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.52% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.29% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.03% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.87% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.58% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.85% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.82% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.88% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.17% | 92.94% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.12% | 95.36% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.25% | 92.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.67% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.62% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.51% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.25% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.00% | 95.89% |
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.
| Plectranthus barbatus |
| PubChem | 16215884 |
| LOTUS | LTS0085794 |
| wikiData | Q105165727 |