2H,8H-[2]Benzopyrano[3,4-h]-1-benzopyran-2-one, 8a,9,10,12a-tetrahydro-8-[hydroxy(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-8a,11-dimethyl-
| Internal ID | e9e31477-ce1d-43ea-b43e-14215893b6f7 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Angular pyranocoumarins |
| IUPAC Name | 8-[hydroxy-(7-hydroxy-2-oxochromen-8-yl)methyl]-8a,11-dimethyl-8,9,10,12a-tetrahydroisochromeno[3,4-h]chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H24O7/c1-14-11-12-28(2)17(13-14)22-19(8-4-16-6-10-20(30)34-25(16)22)33-27(28)24(32)23-18(29)7-3-15-5-9-21(31)35-26(15)23/h3-10,13,17,24,27,29,32H,11-12H2,1-2H3 |
| InChI Key | XGNSVHRNEPBIRB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O7 |
| Molecular Weight | 472.50 g/mol |
| Exact Mass | 472.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.60 |
| 152551-90-1 |
| 2H,8H-[2]Benzopyrano[3,4-h]-1-benzopyran-2-one, 8a,9,10,12a-tetrahydro-8-[hydroxy(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-8a,11-dimethyl- |
![2D Structure of 2H,8H-[2]Benzopyrano[3,4-h]-1-benzopyran-2-one, 8a,9,10,12a-tetrahydro-8-[hydroxy(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-8a,11-dimethyl-](https://plantaedb.com/storage/docs/compounds/2023/11/d0bb2980-85c9-11ee-92e6-151e45d68fff.jpg "2D Structure of 2H,8H-[2]Benzopyrano[3,4-h]-1-benzopyran-2-one, 8a,9,10,12a-tetrahydro-8-[hydroxy(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-8a,11-dimethyl-")
| 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 | 96.38% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.78% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.08% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.01% | 91.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.01% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.95% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.94% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.79% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.30% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.34% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.09% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.96% | 85.30% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.65% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.55% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.18% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.86% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.33% | 93.04% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.06% | 96.38% |
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.
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| There are no matching plants. |
| PubChem | 162941202 |
| LOTUS | LTS0212581 |
| wikiData | Q105327696 |