Menthofurolactone
| Internal ID | ae6f25fd-4123-4897-a30d-3fbd1fd75574 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 3,6-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one |
| SMILES (Canonical) | CC1CCC2=C(C1)OC(=O)C2C |
| SMILES (Isomeric) | CC1CCC2=C(C1)OC(=O)C2C |
| InChI | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-7H,3-5H2,1-2H3 |
| InChI Key | APRDSJRFFKMSPY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.22 g/mol |
| Exact Mass | 166.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.00 |
| SCHEMBL7541027 |
| DTXSID60864387 |
| APRDSJRFFKMSPY-UHFFFAOYSA-N |
| 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one |
| 2(3H)-Benzofuranone, 4,5,6,7-tetrahydro-3,6-dimethyl- |
| 3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2(3H)-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.85% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.48% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.00% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.21% | 93.40% |
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.
| Pycnanthemum floridanum |
| PubChem | 22728845 |
| LOTUS | LTS0100413 |
| wikiData | Q104375552 |