3,4-Dihydroxy-6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
Internal ID | ecacfe63-403d-4e55-bff1-ca260b98a1cf |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 4-hydroxycoumarins |
IUPAC Name | 3,4-dihydroxy-6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one |
SMILES (Canonical) | CC(=CCOC1=C(C=C2C(=C1)OC(=O)C(=C2O)O)OC)C |
SMILES (Isomeric) | CC(=CCOC1=C(C=C2C(=C1)OC(=O)C(=C2O)O)OC)C |
InChI | InChI=1S/C15H16O6/c1-8(2)4-5-20-12-7-10-9(6-11(12)19-3)13(16)14(17)15(18)21-10/h4,6-7,16-17H,5H2,1-3H3 |
InChI Key | CIYCRWXVDIOYTL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H16O6 |
Molecular Weight | 292.28 g/mol |
Exact Mass | 292.09468823 g/mol |
Topological Polar Surface Area (TPSA) | 85.20 Ų |
XlogP | 2.60 |
There are no found synonyms. |
![2D Structure of 3,4-Dihydroxy-6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one 2D Structure of 3,4-Dihydroxy-6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/34-dihydroxy-6-methoxy-7-3-methylbut-2-enoxychromen-2-one.jpg)
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 | 98.73% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.26% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.84% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.30% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.98% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 89.45% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.66% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.32% | 85.14% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.97% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.43% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.19% | 95.56% |
CHEMBL2535 | P11166 | Glucose transporter | 81.95% | 98.75% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.51% | 92.94% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.24% | 92.38% |
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.
Nepenthes rafflesiana |
Pterocaulon polystachyum |
PubChem | 162868576 |
LOTUS | LTS0173358 |
wikiData | Q105195578 |