2-[2-[3,4a,7,7,10a-pentamethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | a7e0e566-d975-4e6d-b19e-2d92d1fae4b5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[2-[3,4a,7,7,10a-pentamethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)CCC(O3)(C)C(COC5C(C(C(C(O5)CO)O)O)O)O)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)CCC(O3)(C)C(COC5C(C(C(C(O5)CO)O)O)O)O)C)C |
| InChI | InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-20(29)45-28-26(41)24(39)22(37)16(13-34)44-28)7-11-32(5,46-31)19(35)14-42-27-25(40)23(38)21(36)15(12-33)43-27/h15-28,33-41H,6-14H2,1-5H3 |
| InChI Key | UGXGNDFGUYJPTJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H56O14 |
| Molecular Weight | 664.80 g/mol |
| Exact Mass | 664.36700646 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 2-[2-[3,4a,7,7,10a-pentamethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/b396d0d0-85d6-11ee-b7a1-b922d2620785.jpg "2D Structure of 2-[2-[3,4a,7,7,10a-pentamethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 96.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.98% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.31% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.38% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.14% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.51% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.09% | 98.10% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.86% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.08% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.58% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.63% | 92.50% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.62% | 95.36% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.88% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.21% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.68% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.48% | 91.24% |
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.
| Microtropis japonica |
| PubChem | 162994788 |
| LOTUS | LTS0186942 |
| wikiData | Q105272623 |