9a-hydroxy-1,8-dimethyl-5-methylidene-4,5a,6,7,8,9-hexahydro-3aH-benzo[e][1]benzofuran-2-one
| Internal ID | de46a245-8673-4ffd-be07-d90598035616 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 9a-hydroxy-1,8-dimethyl-5-methylidene-4,5a,6,7,8,9-hexahydro-3aH-benzo[e][1]benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O3/c1-8-4-5-11-9(2)6-12-13(15(11,17)7-8)10(3)14(16)18-12/h8,11-12,17H,2,4-7H2,1,3H3 |
| InChI Key | OCAHDHABUJJDSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 9a-hydroxy-1,8-dimethyl-5-methylidene-4,5a,6,7,8,9-hexahydro-3aH-benzo[e][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9a-hydroxy-18-dimethyl-5-methylidene-45a6789-hexahydro-3ah-benzoe1benzofuran-2-one.jpg "2D Structure of 9a-hydroxy-1,8-dimethyl-5-methylidene-4,5a,6,7,8,9-hexahydro-3aH-benzo[e][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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.89% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.39% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.83% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.61% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.19% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.48% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.32% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.83% | 86.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.65% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.94% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.16% | 97.14% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.05% | 85.11% |
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.
| Chloranthus henryi |
| PubChem | 74070656 |
| LOTUS | LTS0088437 |
| wikiData | Q105189246 |