Spiro[2H-1-benzopyran-3(4H),7'-bicyclo[4.2.0]octa[1,3,5]trien]-4-one, 4',5,7-trihydroxy-3'-methoxy-, (3R)-
| Internal ID | 271a8c75-6b43-4345-a5ce-37f8b0ad3133 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones |
| IUPAC Name | (3R)-4',5,7-trihydroxy-3'-methoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)CC23COC4=CC(=CC(=C4C3=O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C[C@]23COC4=CC(=CC(=C4C3=O)O)O)O |
| InChI | InChI=1S/C17H14O6/c1-22-13-2-8-6-17(10(8)5-11(13)19)7-23-14-4-9(18)3-12(20)15(14)16(17)21/h2-5,18-20H,6-7H2,1H3/t17-/m0/s1 |
| InChI Key | UVAGPWQTXXDQIY-KRWDZBQOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 1.40 |
| DTXSID601110274 |
| 99877-68-6 |
| Spiro[2H-1-benzopyran-3(4H),7'-bicyclo[4.2.0]octa[1,3,5]trien]-4-one, 4',5,7-trihydroxy-3'-methoxy-, (3R)- |
![2D Structure of Spiro[2H-1-benzopyran-3(4H),7'-bicyclo[4.2.0]octa[1,3,5]trien]-4-one, 4',5,7-trihydroxy-3'-methoxy-, (3R)-](https://plantaedb.com/storage/docs/compounds/2023/11/55ecfb90-874e-11ee-ba48-9f72ccc33a46.jpg "2D Structure of Spiro[2H-1-benzopyran-3(4H),7'-bicyclo[4.2.0]octa[1,3,5]trien]-4-one, 4',5,7-trihydroxy-3'-methoxy-, (3R)-")
| 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 | 98.98% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.69% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.31% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.24% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.66% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.59% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.10% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.72% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.22% | 99.23% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.16% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.49% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.53% | 93.99% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.21% | 82.67% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.19% | 80.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.63% | 82.38% |
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.
To see more specific details click the taxa you are interested in.
| Leopoldia comosa |
| Muscari neglectum |
| PubChem | 155554249 |
| LOTUS | LTS0266963 |
| wikiData | Q105279708 |