(4R)-3-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
Internal ID | 92c19001-9e6e-473d-a62c-0fbaa35790db |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | (4R)-3-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one |
SMILES (Canonical) | CC1=C(C(CC1=O)C(C)C)CCC(=CCCC2=COC=C2)C |
SMILES (Isomeric) | CC1=C([C@H](CC1=O)C(C)C)CC/C(=C/CCC2=COC=C2)/C |
InChI | InChI=1S/C20H28O2/c1-14(2)19-12-20(21)16(4)18(19)9-8-15(3)6-5-7-17-10-11-22-13-17/h6,10-11,13-14,19H,5,7-9,12H2,1-4H3/b15-6+/t19-/m1/s1 |
InChI Key | ZVHLCWDOBXXLQC-SSWSSLRGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O2 |
Molecular Weight | 300.40 g/mol |
Exact Mass | 300.208930132 g/mol |
Topological Polar Surface Area (TPSA) | 30.20 Ų |
XlogP | 4.70 |
There are no found synonyms. |
![2D Structure of (4R)-3-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one 2D Structure of (4R)-3-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4r-3-e-6-furan-3-yl-3-methylhex-3-enyl-2-methyl-4-propan-2-ylcyclopent-2-en-1-one.jpg)
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 96.39% | 98.95% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.82% | 90.71% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.52% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.95% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.94% | 94.73% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.82% | 91.11% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.09% | 93.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.64% | 85.14% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 87.19% | 92.51% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.80% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.52% | 95.89% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.32% | 97.25% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.17% | 100.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.41% | 99.17% |
CHEMBL1907 | P15144 | Aminopeptidase N | 81.24% | 93.31% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.59% | 93.65% |
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.
Xylocarpus granatum |
PubChem | 11781570 |
LOTUS | LTS0128514 |
wikiData | Q105163555 |