8-(hydroxymethyl)-8-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
Internal ID | f33b04ef-b8da-4a79-a988-818520bff3b7 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Strigolactones |
IUPAC Name | 8-(hydroxymethyl)-8-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one |
SMILES (Canonical) | CC1=CC(OC1=O)OC=C2C3CC4=C(C3OC2=O)C(CCC4)(C)CO |
SMILES (Isomeric) | CC1=CC(OC1=O)OC=C2C3CC4=C(C3OC2=O)C(CCC4)(C)CO |
InChI | InChI=1S/C19H22O6/c1-10-6-14(24-17(10)21)23-8-13-12-7-11-4-3-5-19(2,9-20)15(11)16(12)25-18(13)22/h6,8,12,14,16,20H,3-5,7,9H2,1-2H3 |
InChI Key | KYSWLLSZOWOOGF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H22O6 |
Molecular Weight | 346.40 g/mol |
Exact Mass | 346.14163842 g/mol |
Topological Polar Surface Area (TPSA) | 82.10 Ų |
XlogP | 1.30 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.32% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.36% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.17% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.04% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.56% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 90.63% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.62% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.87% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.79% | 100.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.41% | 91.07% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.66% | 86.92% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.33% | 97.79% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.48% | 94.73% |
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.
Sorghum bicolor |
PubChem | 74336046 |
LOTUS | LTS0016977 |
wikiData | Q105147920 |