[4,6-dihydroxy-2-(hydroxymethyl)-5-(7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carbonyl)oxyoxan-3-yl] 7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carboxylate
| Internal ID | aa17db9f-372e-48a4-ae7e-d6223e2736c6 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [4,6-dihydroxy-2-(hydroxymethyl)-5-(7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carbonyl)oxyoxan-3-yl] 7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O12/c1-10-3-5-12-14(8-34-24(31)17(10)12)22(29)37-20-16(7-27)36-26(33)21(19(20)28)38-23(30)15-9-35-25(32)18-11(2)4-6-13(15)18/h12-16,19-21,26-28,33H,3-9H2,1-2H3 |
| InChI Key | RVGMZRHIIQPXLL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O12 |
| Molecular Weight | 536.50 g/mol |
| Exact Mass | 536.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of [4,6-dihydroxy-2-(hydroxymethyl)-5-(7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carbonyl)oxyoxan-3-yl] 7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/48b56950-8441-11ee-9cc4-e7fbdf470f90.jpg "2D Structure of [4,6-dihydroxy-2-(hydroxymethyl)-5-(7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carbonyl)oxyoxan-3-yl] 7-methyl-1-oxo-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-4-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.70% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.96% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.73% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.01% | 91.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.09% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.81% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.10% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.68% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.35% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.40% | 95.89% |
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.
| Linaria japonica |
| PubChem | 162889978 |
| LOTUS | LTS0217097 |
| wikiData | Q105246020 |