9-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-4-methoxyfuro[3,2-g]chromen-7-one
| Internal ID | eef36b89-bcb2-4244-a5e0-2e2dc7a9c847 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 5-methoxypsoralens |
| IUPAC Name | 9-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-4-methoxyfuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(C)(C1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C(CO)O |
| SMILES (Isomeric) | CC(C)(C1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)[C@@H](CO)O |
| InChI | InChI=1S/C17H18O6/c1-17(2,11(19)8-18)13-15-10(6-7-22-15)14(21-3)9-4-5-12(20)23-16(9)13/h4-7,11,18-19H,8H2,1-3H3/t11-/m1/s1 |
| InChI Key | PEIKVIYNHNSILV-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O6 |
| Molecular Weight | 318.32 g/mol |
| Exact Mass | 318.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 9-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-4-methoxyfuro[3,2-g]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-3s-34-dihydroxy-2-methylbutan-2-yl-4-methoxyfuro32-gchromen-7-one.jpg "2D Structure of 9-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]-4-methoxyfuro[3,2-g]chromen-7-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 | 97.06% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.75% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.12% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.26% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.99% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.62% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.70% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.08% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.17% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.01% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.82% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.32% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.27% | 99.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.68% | 94.03% |
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.
| Dorstenia gigas |
| PubChem | 162877731 |
| LOTUS | LTS0201758 |
| wikiData | Q105207126 |