7-[5-(3,6-Dihydroxy-2,2,6-trimethylcyclohexyl)-3-hydroxy-3-methylpentoxy]chromen-2-one
Internal ID | 7d493739-864f-46be-8e2c-315560806a9e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | 7-[5-(3,6-dihydroxy-2,2,6-trimethylcyclohexyl)-3-hydroxy-3-methylpentoxy]chromen-2-one |
SMILES (Canonical) | CC1(C(CCC(C1CCC(C)(CCOC2=CC3=C(C=C2)C=CC(=O)O3)O)(C)O)O)C |
SMILES (Isomeric) | CC1(C(CCC(C1CCC(C)(CCOC2=CC3=C(C=C2)C=CC(=O)O3)O)(C)O)O)C |
InChI | InChI=1S/C24H34O6/c1-22(2)19(24(4,28)12-10-20(22)25)9-11-23(3,27)13-14-29-17-7-5-16-6-8-21(26)30-18(16)15-17/h5-8,15,19-20,25,27-28H,9-14H2,1-4H3 |
InChI Key | SKOQTSGTXDUTPI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H34O6 |
Molecular Weight | 418.50 g/mol |
Exact Mass | 418.23553880 g/mol |
Topological Polar Surface Area (TPSA) | 96.20 Ų |
XlogP | 3.40 |
There are no found synonyms. |
![2D Structure of 7-[5-(3,6-Dihydroxy-2,2,6-trimethylcyclohexyl)-3-hydroxy-3-methylpentoxy]chromen-2-one 2D Structure of 7-[5-(3,6-Dihydroxy-2,2,6-trimethylcyclohexyl)-3-hydroxy-3-methylpentoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-5-36-dihydroxy-226-trimethylcyclohexyl-3-hydroxy-3-methylpentoxychromen-2-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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.88% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.91% | 97.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.80% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.30% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.50% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.87% | 95.89% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.56% | 85.31% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.35% | 89.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.76% | 92.62% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.60% | 92.94% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.25% | 94.75% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.82% | 97.53% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.56% | 80.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.42% | 86.33% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.37% | 94.62% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.26% | 95.71% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.11% | 97.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.38% | 86.92% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.27% | 92.97% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.15% | 99.17% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.76% | 95.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.58% | 94.45% |
CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.40% | 85.49% |
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.
Fergania polyantha |
Ferula vicaria |
PubChem | 5207725 |
LOTUS | LTS0188487 |
wikiData | Q104396266 |