Ganoleucoin W
| Internal ID | 4919211a-08ee-48f7-81aa-2721652576ad |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (6R)-6-[(3R,4S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| SMILES (Canonical) | CC(CCC=C(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(C4(C)CO)O)C)O)C)C |
| SMILES (Isomeric) | C[C@H](CCC=C(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@H]([C@]4(C)CO)O)C)O)C)C |
| InChI | InChI=1S/C30H42O8/c1-15(8-7-9-16(2)26(37)38)17-12-21(34)30(6)22-18(32)13-19-27(3,11-10-20(33)28(19,4)14-31)23(22)24(35)25(36)29(17,30)5/h9,15,17,19-20,25,31,33,36H,7-8,10-14H2,1-6H3,(H,37,38)/t15-,17-,19-,20-,25-,27+,28-,29+,30+/m1/s1 |
| InChI Key | VNOIWHRRFVTZJT-LZLZEIBYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H42O8 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.28796829 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.71% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.00% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.16% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.04% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.05% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.35% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.32% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.29% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.20% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.14% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.88% | 98.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.60% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.91% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.60% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.92% | 93.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.81% | 98.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.52% | 96.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.60% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.40% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.21% | 97.79% |
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.
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| There are no matching plants. |
| PubChem | 146684403 |
| LOTUS | LTS0067769 |
| wikiData | Q105289771 |