4a,6,7-Trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carbaldehyde
| Internal ID | 0d2c5e9e-3e80-4704-911c-a9f7915d4bd4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Iridoid O-glycosides |
| IUPAC Name | 4a,6,7-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carbaldehyde |
| SMILES (Canonical) | CC1(C(CC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1(C(CC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C16H24O11/c1-15(23)8(19)2-16(24)6(3-17)5-25-14(12(15)16)27-13-11(22)10(21)9(20)7(4-18)26-13/h3,5,7-14,18-24H,2,4H2,1H3 |
| InChI Key | BGKSXZCAOMVVOF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O11 |
| Molecular Weight | 392.35 g/mol |
| Exact Mass | 392.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | -3.50 |
| There are no found synonyms. |
![2D Structure of 4a,6,7-Trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/17579a90-8603-11ee-92e9-fb7c8ab79732.jpg "2D Structure of 4a,6,7-Trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carbaldehyde")
| 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 | 96.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.82% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.23% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.63% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.59% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.19% | 96.61% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.00% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.42% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.10% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.80% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.22% | 86.92% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.70% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.37% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.02% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.32% | 96.00% |
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.
| Campsis grandiflora |
| PubChem | 163079823 |
| LOTUS | LTS0162774 |
| wikiData | Q104935607 |