15-O-Acetylganolucidate A
| Internal ID | 1c6ac1fb-60c3-4353-88b3-50b5b7cf60bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H46O7/c1-17(13-20(34)14-18(2)28(37)38)22-15-26(39-19(3)33)32(8)21-9-10-24-29(4,5)25(36)11-12-30(24,6)27(21)23(35)16-31(22,32)7/h17-18,22,24,26H,9-16H2,1-8H3,(H,37,38)/t17-,18?,22-,24+,26+,30+,31-,32-/m1/s1 |
| InChI Key | CKXRGSLEGLFLRZ-NWWXHUCFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H46O7 |
| Molecular Weight | 542.70 g/mol |
| Exact Mass | 542.32435380 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 4.10 |
| (6R)-6-((5R,10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid |
| (6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| RefChem:78863 |
| CHEMBL2331733 |
| CHEBI:218260 |
| BDBM50428362 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.47% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.79% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.03% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.14% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.95% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.50% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.90% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.97% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.99% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 83.83% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.55% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.87% | 97.25% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.99% | 95.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.85% | 89.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.70% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.43% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.23% | 96.38% |
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 | 71665528 |
| LOTUS | LTS0070338 |
| wikiData | Q77566296 |