9a-hydroxy-3-methyl-5-methylidene-4a,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
| Internal ID | 276211a7-1591-4f9e-a60b-d8c249c86d9a |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 9a-hydroxy-3-methyl-5-methylidene-4a,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | CC1=C2CC3C(CCCC3=C)CC2(OC1=O)O |
| SMILES (Isomeric) | CC1=C2CC3C(CCCC3=C)CC2(OC1=O)O |
| InChI | InChI=1S/C14H18O3/c1-8-4-3-5-10-7-14(16)12(6-11(8)10)9(2)13(15)17-14/h10-11,16H,1,3-7H2,2H3 |
| InChI Key | OAXKIRPCKWQWOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.29 g/mol |
| Exact Mass | 234.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 9a-hydroxy-3-methyl-5-methylidene-4a,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9a-hydroxy-3-methyl-5-methylidene-4a6788a9-hexahydro-4h-benzof1benzofuran-2-one.jpg "2D Structure of 9a-hydroxy-3-methyl-5-methylidene-4a,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-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 | 94.03% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.13% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.64% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.97% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.01% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.94% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.92% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.89% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.61% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.52% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.33% | 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.
| Tetradium glabrifolium |
| PubChem | 163034327 |
| LOTUS | LTS0148329 |
| wikiData | Q105188883 |