(4E,6S,7R,8E,10R,11R,12E,14R)-4,6,8,10,12,14-hexamethyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8,12-trien-3-one
| Internal ID | 16157b9f-5813-4c36-9d5e-359acb828369 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (4E,6S,7R,8E,10R,11R,12E,14R)-4,6,8,10,12,14-hexamethyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8,12-trien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H58O13/c1-9-16(3)11-18(5)31(46-33-29(42)27(40)25(38)23(14-35)44-33)20(7)13-21(8)32(19(6)12-17(4)22(37)10-2)47-34-30(43)28(41)26(39)24(15-36)45-34/h11-13,16,19-20,23-36,38-43H,9-10,14-15H2,1-8H3/b17-12+,18-11+,21-13+/t16-,19+,20-,23+,24-,25-,26-,27+,28+,29-,30+,31+,32-,33+,34+/m1/s1 |
| InChI Key | IIRNCNSOKWSLBX-MMMBEAHUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H58O13 |
| Molecular Weight | 674.80 g/mol |
| Exact Mass | 674.38774190 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (4E,6S,7R,8E,10R,11R,12E,14R)-4,6,8,10,12,14-hexamethyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8,12-trien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/f9d05c20-85de-11ee-8f87-7f88ac70044e.jpg "2D Structure of (4E,6S,7R,8E,10R,11R,12E,14R)-4,6,8,10,12,14-hexamethyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8,12-trien-3-one")
| 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 | 96.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.93% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.55% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.55% | 97.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.47% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.59% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.02% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.53% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.25% | 95.93% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.92% | 91.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.51% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.43% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.19% | 96.95% |
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.
| There are no matching plants. |
| PubChem | 162908591 |
| LOTUS | LTS0194157 |
| wikiData | Q105113720 |