| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | No |
Popular Name: eriodictyol eriodictyol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4049-38-1 , 552-58-9 , [552-58-9]
(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone; Eriodictiol
(S)-3?,4?,5,7-Tetrahydroxyflavanone
CHEBI:23945; CHEBI:49606; CHEBI:4832
Eriodictyol with HPLC [4049-38-1]
Eriodictyol with HPLC [552-58-9]; (5,7,3',4'-Tetrahydroxyflavanone with HPLC)
Eriodictyol [4049-38-1]; (5,7,3',4'-Tetrahydroxyflavanone)
Eriodictyol [552-58-9]; (2-[3,4-Dihydroxyphenyl]2,3-dihydro-5,7-dihydroxy-4H-1benzopyran-4-one))
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.63 | -1.2 | -12.56 | 4 | 6 | 0 | 107 | 288.255 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | -0.21 | -53.53 | 3 | 6 | -1 | 110 | 287.247 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 270 C | Indofine |
| M.P. | 270 C (dec) | Indofine |
| MP | 270o C | Indofine |
| MP | 270o C (d) | Indofine |
| Target | Cell division control protein 2 homolog(P06493)&Cyclin-A2(P20248)&G2/mitotic-specific cyclin-B1(P14635) | Herbal Ingredients Targets |
| UniProt Database Links | DFRA_MALDO; DFRA_PYRCO; F3PH_ARATH; F3PH_PETHY; FOMT1_WHEAT; FOMT2_WHEAT; GBA3_HUMAN; OMT1_ORYSJ | ChEBI |
| PUBCHEM_PATENT_ID | EP0065123A1; EP0122053A2; EP0522880A2; EP0522880A3; EP0577143A2; EP0577143A3; EP0577143B1; EP0627909A1; EP0627909B1; EP0631630A1; EP0680744B1; EP0719554A1; EP0742012A2; EP0774249A2; EP0929676A1; EP0971743A1; EP0991318A1; EP1007077A1; EP1024819A1; US410567 | IBM Patent Data |
| Patent Database Links | EP0774249; EP1783193; EP1808169; EP1834636; EP1925311; US2007191330; US2007212393; US2007244189; US2007248700; WO2005027901; WO2007109600 | ChEBI |
| SOLUBILITY | Merck Index 12, 3710 | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP1B1-1-E | Cytochrome P450 1B1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1284 | 0.39 | Binding ≤ 10μM |
| Z81137-1-O | L929 (Fibroblast Cells) (cluster #1 Of 2), Other | Other | 6000 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP1B1_HUMAN | Q16678 | Cytochrome P450 1B1, Human | 1284 | 0.39 | Binding ≤ 10μM |
| Z81137 | Z81137 | L929 (Fibroblast Cells) | 4000 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Endogenous sterols | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
