(1R)-1-[(3R,4aS,6aS,7R,10aR,10bR)-7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
| Internal ID | 01fa7fdf-41ff-47fd-be3b-28cd45ef1425 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R)-1-[(3R,4aS,6aS,7R,10aR,10bR)-7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C(CO)O)C)C)CO |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]3([C@@H]2CC[C@](O3)(C)[C@@H](CO)O)C)C)CO |
| InChI | InChI=1S/C20H36O4/c1-17(13-22)8-5-9-18(2)14(17)6-10-19(3)15(18)7-11-20(4,24-19)16(23)12-21/h14-16,21-23H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19+,20-/m1/s1 |
| InChI Key | HVPOUKMBNCGQNV-ABHMGBDOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O4 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1R)-1-[(3R,4aS,6aS,7R,10aR,10bR)-7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2eed82f0-855d-11ee-a032-a55d3feb9ae9.jpg "2D Structure of (1R)-1-[(3R,4aS,6aS,7R,10aR,10bR)-7-(hydroxymethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol")
| 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 | 97.49% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.55% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.44% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.95% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.40% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.92% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.59% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.25% | 97.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.60% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.36% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.90% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.05% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.84% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.65% | 94.45% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.28% | 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.
| Florestina tripteris |
| PubChem | 162920069 |
| LOTUS | LTS0202989 |
| wikiData | Q105034375 |