3-(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
Internal ID | ea7143ab-ba81-4374-864e-fdfe1f64bf22 |
Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
IUPAC Name | 3-(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one |
SMILES (Canonical) | C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(=O)O1 |
SMILES (Isomeric) | C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(=O)O1 |
InChI | InChI=1S/C13H12O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12H,4-6H2 |
InChI Key | MUJSDHOMVUBTSP-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C13H12O5 |
Molecular Weight | 248.23 g/mol |
Exact Mass | 248.06847348 g/mol |
Topological Polar Surface Area (TPSA) | 54.00 Ų |
XlogP | 1.10 |
There are no found synonyms. |
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 | 95.86% | 91.11% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.18% | 94.80% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.84% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.08% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.06% | 96.77% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.86% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.29% | 93.40% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.14% | 80.96% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.15% | 96.09% |
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.
Artemisia capillaris |
Bupleurum salicifolium |
PubChem | 13989055 |
LOTUS | LTS0081720 |
wikiData | Q105172460 |