Gloeophyllin L
| Internal ID | b75c7b42-feea-4072-b24c-407796544ca6 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | (3S,4S,6bR,9R,10aR,11bS)-3-hydroxy-4,11b-dimethyl-9-[(2R)-6-methylhept-5-en-2-yl]-10-methylidene-1,2,3,4a,5,6,6b,7,8,9,10a,11-dodecahydrobenzo[a]fluorene-4-carboxylic acid |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2C(C1=C)CC3=C2CCC4C3(CCC(C4(C)C(=O)O)O)C |
| SMILES (Isomeric) | C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@H](C1=C)CC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C |
| InChI | InChI=1S/C29H44O3/c1-17(2)8-7-9-18(3)20-10-11-21-22-12-13-25-28(5,24(22)16-23(21)19(20)4)15-14-26(30)29(25,6)27(31)32/h8,18,20-21,23,25-26,30H,4,7,9-16H2,1-3,5-6H3,(H,31,32)/t18-,20-,21+,23+,25?,26+,28-,29+/m1/s1 |
| InChI Key | YUEXLVNRFHBHKG-SPIXXTTNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H44O3 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 6.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.66% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.84% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.66% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.92% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.84% | 90.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.66% | 98.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.75% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.70% | 96.38% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 87.93% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.77% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.63% | 97.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.61% | 93.56% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.85% | 89.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.47% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.62% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.43% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.38% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.01% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.78% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 80.12% | 97.50% |
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 | 146682866 |
| LOTUS | LTS0122214 |
| wikiData | Q105362773 |