3,6,10-Trimethyl-4H,7H,8H,11H-cyclodeca[B]furan
| Internal ID | 63a16be0-be1d-485a-a142-51f57e58cc14 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | 3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan |
| SMILES (Canonical) | CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
| SMILES (Isomeric) | CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
| InChI | InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChI Key | VMDXHYHOJPKFEK-UHFFFAOYSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C15H20O |
| Molecular Weight | 216.32 g/mol |
| Exact Mass | 216.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 13.10 Ų |
| XlogP | 3.70 |
| Isofuranodiene |
| 3,6,10-TRIMETHYL-4H,7H,8H,11H-CYCLODECA[B]FURAN |
| 57566-47-9 |
| 3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan |
| 19912-61-9 |
![2D Structure of 3,6,10-Trimethyl-4H,7H,8H,11H-cyclodeca[B]furan](https://plantaedb.com/storage/docs/compounds/2023/11/3610-trimethyl-4h7h8h11h-cyclodecabfuran.jpg "2D Structure of 3,6,10-Trimethyl-4H,7H,8H,11H-cyclodeca[B]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 | 91.86% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.83% | 94.73% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.89% | 86.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.61% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.39% | 95.56% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.44% | 96.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.06% | 90.00% |
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.
| Chloranthus serratus |
| Chloranthus tianmushanensis |
| Commiphora myrrha |
| Curcuma kwangsiensis |
| Smyrnium olusatrum |
| Smyrnium perfoliatum |
| PubChem | 171597 |
| LOTUS | LTS0259888 |
| wikiData | Q105288928 |