(1R,3aS,6aS,7S,10aR)-7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol
| Internal ID | 22873ad6-1605-452e-9993-378dc0909b83 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1R,3aS,6aS,7S,10aR)-7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol |
| SMILES (Canonical) | CC(=CCCC1(CCCC23C1CCC(=C)C2COC3O)C)C |
| SMILES (Isomeric) | CC(=CCC[C@@]1(CCC[C@@]23[C@H]1CCC(=C)[C@@H]2CO[C@H]3O)C)C |
| InChI | InChI=1S/C20H32O2/c1-14(2)7-5-10-19(4)11-6-12-20-16(13-22-18(20)21)15(3)8-9-17(19)20/h7,16-18,21H,3,5-6,8-13H2,1-2,4H3/t16-,17-,18+,19+,20-/m0/s1 |
| InChI Key | CNTQSPORMWRWPD-OMZCGLGVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (1R,3aS,6aS,7S,10aR)-7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/65ec3de0-8736-11ee-a130-550f59537f1f.jpg "2D Structure of (1R,3aS,6aS,7S,10aR)-7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol")
| 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 | 96.61% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.88% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.05% | 83.57% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.97% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.10% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.29% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.99% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.69% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.28% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.20% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.14% | 97.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.90% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.71% | 97.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.99% | 80.96% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.98% | 92.94% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.96% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.30% | 92.62% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.52% | 100.00% |
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.
| Pellia epiphylla |
| Porella perrottetiana |
| PubChem | 14632984 |
| LOTUS | LTS0074108 |
| wikiData | Q104966334 |