(15alpha)-15-Hydroxysoyasapogenol
| Internal ID | 28ff60d9-c19c-49cb-82f7-4b18b54522ba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,4S,4aR,6aR,6bS,7S,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,7,9-triol |
| SMILES (Canonical) | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(C(CC2(C(C1)O)C)O)C)C)(C)CO)O)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3([C@H](C[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)O)C)C)(C)CO)O |
| InChI | InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-26(3)12-11-22(32)28(5,17-31)20(26)10-13-29(21,6)30(18,7)24(34)16-27(19,4)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23+,24-,26-,27+,28+,29+,30-/m0/s1 |
| InChI Key | GZDLRLDMFDZLOH-KGEVTECISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O4 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 474.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 5.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.87% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.56% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.81% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.35% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.16% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.06% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.83% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.06% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.57% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.11% | 95.56% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 82.43% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.65% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.33% | 91.07% |
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.
| Teucrium oliverianum |
| Teucrium orientale |
| PubChem | 101952807 |
| LOTUS | LTS0130749 |
| wikiData | Q105307814 |