Porrigenin A
| Internal ID | 6c053e06-6354-4586-9d9b-6821ef211b94 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)O)O)C)O)C)C)OC1 |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(C[C@@H]([C@@H](C6)O)O)C)O)C)C)OC1 |
| InChI | InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+,25+,26-,27-/m1/s1 |
| InChI Key | FYRLHXNMINIDCB-FJQPKSSRSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H44O5 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.20 |
| (25R)-5alpha-Spirostan-2beta,3beta,6beta-triol |
| CHEMBL512238 |
| CHEBI:137227 |
| LMST01080001 |
| 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 | 96.72% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 93.63% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.32% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.90% | 89.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.57% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.33% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.65% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.62% | 91.11% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.18% | 97.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.78% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.83% | 98.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.49% | 90.17% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.41% | 95.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.76% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.60% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.32% | 92.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.79% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.58% | 95.58% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.36% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.64% | 96.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.98% | 93.04% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.61% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.48% | 95.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.39% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.00% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.76% | 97.64% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.71% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.38% | 96.77% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.05% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Allium ampeloprasum |
| Allium obliquum |
| PubChem | 44566819 |
| LOTUS | LTS0073152 |
| wikiData | Q105004658 |