2H-Pyran-2-one, 4-methoxy-3-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-, [2R-[2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha]]-
| Internal ID | 7c06a878-e3e8-4092-b9a9-62060370a5ec |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one |
| SMILES (Canonical) | CC1C(C(C(O1)(C)C=C(C)C=CC=CC=CC2=CC(=C(C(=O)O2)C)OC)O)(C)O |
| SMILES (Isomeric) | C[C@H]1[C@@]([C@@H]([C@@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=CC(=C(C(=O)O2)C)OC)O)(C)O |
| InChI | InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-13-19(27-6)16(2)20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m0/s1 |
| InChI Key | QPSHETAOAVLQIF-AYGDVHJDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H30O6 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.10 |
| 2H-Pyran-2-one, 4-methoxy-3-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-, [2R-[2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha]]- |
| Citreoviridin-C |
| Citreoviridin 1b |
| DTXSID601017733 |
| AKOS040734430 |
| NCGC00380977-01!6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one |
![2D Structure of 2H-Pyran-2-one, 4-methoxy-3-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-, [2R-[2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha]]-](https://plantaedb.com/storage/docs/compounds/2023/11/fe598b40-853f-11ee-9b26-319dfaf6c0d2.jpg "2D Structure of 2H-Pyran-2-one, 4-methoxy-3-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-, [2R-[2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha]]-")
| 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 | 98.07% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.51% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.22% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.03% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.50% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.39% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.39% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.29% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.10% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.02% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.86% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.00% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.37% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.95% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.10% | 94.75% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 81.84% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.45% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.84% | 96.43% |
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 | 38348473 |
| LOTUS | LTS0090580 |
| wikiData | Q75068382 |