Goniodonin
| Internal ID | 2c36b54c-35e0-4487-a34e-0f05160bdc4d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (5S)-5-hydroxy-5-methyl-3-[(2R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]furan-2-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)(C)O)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCC(CCCCC[C@H](CC2=C[C@@](OC2=O)(C)O)O)O)O)O |
| InChI | InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-21-30(38)32-23-24-33(42-32)31(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-27-26-35(2,41)43-34(27)40/h26,28-33,36-39,41H,3-25H2,1-2H3/t28?,29-,30-,31-,32-,33-,35+/m1/s1 |
| InChI Key | XMQFCBWDPMJOOL-WIWFARFQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H64O8 |
| Molecular Weight | 612.90 g/mol |
| Exact Mass | 612.46011900 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 7.70 |
| CHEMBL451942 |
| 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 | 99.05% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.53% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.44% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.09% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.07% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.16% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.98% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.47% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.17% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.77% | 94.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.09% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.21% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.17% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.96% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.84% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.76% | 97.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.65% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.36% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.18% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.05% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.76% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.61% | 98.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.25% | 98.33% |
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.
| Goniothalamus cardiopetalus |
| PubChem | 44559054 |
| LOTUS | LTS0123632 |
| wikiData | Q105331352 |