3-[2-[(4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
| Internal ID | 5fcccd71-de15-4f83-ba89-485b5c1562d3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 3-[2-[(4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2C=CC3=COC=C3)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@H]1CCC(=C)C2C=CC3=COC=C3)(C)C |
| InChI | InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/t17?,18-,20-/m1/s1 |
| InChI Key | QXVXYNOIXUIXBI-PGDXBAMXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 13.10 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3-[2-[(4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan](https://plantaedb.com/storage/docs/compounds/2023/11/d5211060-8683-11ee-a054-f7852893bbe6.jpg "2D Structure of 3-[2-[(4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan")
| 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 | 97.71% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.29% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.00% | 97.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.52% | 92.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.47% | 97.25% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.00% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.75% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.10% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.57% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.49% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.72% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.09% | 89.00% |
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.
| Alpinia chinensis |
| Alpinia zerumbet |
| Hedychium coronarium |
| Hedychium villosum |
| Phytolacca americana |
| Zingiber spectabile |
| PubChem | 138113847 |
| LOTUS | LTS0219406 |
| wikiData | Q105225116 |