(3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]heptanoic acid
| Internal ID | 07931e1b-e557-4f75-94e3-96fed1c752f2 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | (3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]heptanoic acid |
| SMILES (Canonical) | CCCCC(CC(=O)O)C1=C2C(=C(C3=C1OC(C(C3=O)C)C)O)C=CC(O2)(C)C |
| SMILES (Isomeric) | CCCC[C@H](CC(=O)O)C1=C2C(=C(C3=C1O[C@@H]([C@@H](C3=O)C)C)O)C=CC(O2)(C)C |
| InChI | InChI=1S/C23H30O6/c1-6-7-8-14(11-16(24)25)17-21-15(9-10-23(4,5)29-21)20(27)18-19(26)12(2)13(3)28-22(17)18/h9-10,12-14,27H,6-8,11H2,1-5H3,(H,24,25)/t12-,13+,14+/m0/s1 |
| InChI Key | XNLPJXSZRVLTGM-BFHYXJOUSA-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) | 93.10 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]heptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/98452340-874b-11ee-b7d0-07cf05bb7a36.jpg "2D Structure of (3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]heptanoic acid")
| 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 | 98.06% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.94% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.48% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.74% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.83% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.53% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.66% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.45% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.27% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.87% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.07% | 90.17% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 82.63% | 95.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.87% | 93.31% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.37% | 90.93% |
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.
| Calophyllum pinetorum |
| PubChem | 101888262 |
| LOTUS | LTS0067331 |
| wikiData | Q105331759 |