10-butanoyl-5-hydroxy-6-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[3,2-g]chromen-8-one
| Internal ID | 5df245dc-293e-4142-9888-0e1ee6450e04 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 10-butanoyl-5-hydroxy-6-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O6/c1-5-7-14(23)17-19-11(8-9-21(3,4)27-19)18(25)16-12(13(22)6-2)10-15(24)26-20(16)17/h8-10,13,22,25H,5-7H2,1-4H3/t13-/m0/s1 |
| InChI Key | GMJLNBCEVMSTTL-ZDUSSCGKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 10-butanoyl-5-hydroxy-6-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[3,2-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/10-butanoyl-5-hydroxy-6-1s-1-hydroxypropyl-22-dimethylpyrano32-gchromen-8-one.jpg "2D Structure of 10-butanoyl-5-hydroxy-6-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[3,2-g]chromen-8-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 | 99.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.95% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.05% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.04% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.93% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.45% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.35% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.09% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.69% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.17% | 96.77% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.11% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.91% | 95.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.37% | 95.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.65% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.53% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.45% | 90.00% |
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.
| Kayea assamica |
| PubChem | 11111501 |
| LOTUS | LTS0087211 |
| wikiData | Q105011934 |