Sandresolide B
| Internal ID | 41ffce79-cd82-4824-aab5-596c7d87798d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1S,5S,8R,9S,11S,12S)-1,12-dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one |
| SMILES (Canonical) | CC1CCC2C(CC(C(C3(C2=C1C(=O)O3)O)(C)O)C=C(C)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@H]2[C@H](C[C@H]([C@]([C@@]3(C2=C1C(=O)O3)O)(C)O)C=C(C)C)C |
| InChI | InChI=1S/C19H28O4/c1-10(2)8-13-9-12(4)14-7-6-11(3)15-16(14)19(22,18(13,5)21)23-17(15)20/h8,11-14,21-22H,6-7,9H2,1-5H3/t11-,12-,13+,14+,18-,19-/m0/s1 |
| InChI Key | MPBLUBDRLXELAD-HFFVCJKMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.80 |
| (1S,5S,8R,9S,11S,12S)-1,12-Dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one |
| 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 | 96.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.22% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.91% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.32% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.75% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.44% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.42% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.74% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.48% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.83% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.80% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.89% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.74% | 89.00% |
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 | 15409520 |
| LOTUS | LTS0079945 |
| wikiData | Q105169306 |