Citreoisocoumarin
Internal ID | 26cd8aef-a23f-4fe7-928c-ecae4717e58a |
Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
IUPAC Name | 6,8-dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]isochromen-1-one |
SMILES (Canonical) | CC(=O)CC(CC1=CC2=CC(=CC(=C2C(=O)O1)O)O)O |
SMILES (Isomeric) | CC(=O)C[C@H](CC1=CC2=CC(=CC(=C2C(=O)O1)O)O)O |
InChI | InChI=1S/C14H14O6/c1-7(15)2-9(16)5-11-4-8-3-10(17)6-12(18)13(8)14(19)20-11/h3-4,6,9,16-18H,2,5H2,1H3/t9-/m1/s1 |
InChI Key | OSPHTXUUCFLMQA-SECBINFHSA-N |
Popularity | 3 references in papers |
Molecular Formula | C14H14O6 |
Molecular Weight | 278.26 g/mol |
Exact Mass | 278.07903816 g/mol |
Topological Polar Surface Area (TPSA) | 104.00 Ų |
XlogP | 1.10 |
CHEMBL3086840 |
CHEBI:177816 |
6,8-dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]isochromen-1-one |
6,8-Dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]-1H-isochromen-1-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 | 98.49% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.20% | 98.95% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.20% | 96.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.43% | 99.17% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.28% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.86% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.78% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.96% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.95% | 97.21% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.57% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.91% | 99.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.78% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.27% | 95.56% |
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.
There are no matching plants. |
PubChem | 15071544 |
LOTUS | LTS0072667 |
wikiData | Q75064937 |