(8S)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 5193e8dd-b40d-4f50-abf4-3553e4424abf |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (8S)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C3C(=C(C4=C2OC(CC4=O)C5=CC=CC=C5)O)C=CC(O3)(C)C)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C3C(=C(C4=C2O[C@@H](CC4=O)C5=CC=CC=C5)O)C=CC(O3)(C)C)O |
| InChI | InChI=1S/C30H28O8/c1-14-24(33)18(27(36)22(15(2)31)25(14)34)12-19-28-17(10-11-30(3,4)38-28)26(35)23-20(32)13-21(37-29(19)23)16-8-6-5-7-9-16/h5-11,21,33-36H,12-13H2,1-4H3/t21-/m0/s1 |
| InChI Key | AKTBFFHJRRKAMX-NRFANRHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O8 |
| Molecular Weight | 516.50 g/mol |
| Exact Mass | 516.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (8S)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/52ddaba0-8618-11ee-af9f-cf8bb4d69fff.jpg "2D Structure of (8S)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-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 | 98.89% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.23% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.22% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.94% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.73% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.58% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.39% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.22% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.60% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.37% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.44% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 82.81% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.55% | 96.47% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.53% | 90.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.68% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.02% | 95.50% |
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.
| Mallotus philippensis |
| PubChem | 163016703 |
| LOTUS | LTS0190352 |
| wikiData | Q104913844 |