8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
| Internal ID | 9f64befa-aa0d-47b3-9aa6-322da07a4ff1 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8,9-dihydrofuro[2,3-h]chromen-2-one |
| SMILES (Canonical) | CC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)CC(O2)C(C)(C)O |
| SMILES (Isomeric) | CC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)CC(O2)C(C)(C)O |
| InChI | InChI=1S/C24H24O6/c1-12(2)20(26)19-21(27)18-14(13-8-6-5-7-9-13)11-17(25)30-22(18)15-10-16(24(3,4)28)29-23(15)19/h5-9,11-12,16,27-28H,10H2,1-4H3 |
| InChI Key | KYQBNYMPQRSMLV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H24O6 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.00 |
| 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one |
| SCHEMBL15944423 |
| CHEBI:187580 |
| LMPK12100015 |
| 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8,9-dihydrouro[2,3-h]chromen-2-one |
| 8,9-dihydro-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-isobutyryl-4-phenylfuro[2,3-h]chromen-2-one |
![2D Structure of 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/ee75e780-865d-11ee-a976-a1b3a7e63619.jpg "2D Structure of 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.20% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.99% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.41% | 94.73% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.86% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.42% | 99.15% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.63% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.98% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.79% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.31% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.41% | 92.62% |
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.
| Mesua ferrea |
| PubChem | 44257538 |
| LOTUS | LTS0040410 |
| wikiData | Q105147853 |