2-(hydroxymethyl)-6-[[3-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]oxane-3,4,5-triol
| Internal ID | 69859d8e-ab66-4c7e-b4a6-0a8d84a0cefc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-(hydroxymethyl)-6-[[3-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]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(CO)OC5C(C(C(C(O5)CO)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(CO)OC5C(C(C(C(O5)CO)O)O)O)C)C |
| InChI | InChI=1S/C32H56O14/c1-29(2)17-6-10-31(4)18(30(17,3)9-8-19(29)44-27-25(40)23(38)21(36)15(12-33)42-27)7-11-32(5,46-31)20(14-35)45-28-26(41)24(39)22(37)16(13-34)43-28/h15-28,33-41H,6-14H2,1-5H3 |
| InChI Key | USMYUFNGIMZGOD-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-(hydroxymethyl)-6-[[3-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/12109ff0-819d-11ee-aeaa-d58e4a481fcd.jpg "2D Structure of 2-(hydroxymethyl)-6-[[3-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.99% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.53% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.08% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.46% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.60% | 98.10% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.15% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.59% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.83% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.60% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.88% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.78% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.37% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.20% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.90% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.74% | 92.62% |
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 | 162934567 |
| LOTUS | LTS0062999 |
| wikiData | Q105278333 |