Np mrd loader

Showing NP-Card for (+)-Eriodictol (NP0050582)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2022-04-27 21:57:59 UTC
Updated at2022-04-27 21:57:59 UTC
NP-MRD IDNP0050582
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-Eriodictol
DescriptionEriodictyol belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. Thus, eriodictyol is considered to be a flavonoid lipid molecule. Eriodictyol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Eriodictyol has been detected, but not quantified in, several different foods, such as common oregano, common thymes, parsley, sweet basils, and tarragons. This could make eriodictyol a potential biomarker for the consumption of these foods. (+)-Eriodictol is found in Vachellia pennatula, Acer pictum, Aglaia rubiginosa, Agnorhiza invenusta, Allagopappus dichotomus, Allagopappus viscosissimus, Ambrosia artemisioides, Ambrosia bidentata, Anastatica hierochuntica, Annona ambotay, Anthemis auriculata, Arachis hypogaea, Argemone mexicana, Artemisia dracunculus, Artemisia vulgaris, Artemisia xanthochroa, Baccharis reticularia, Baccharis sagittalis, Baccharis salicifolia, Balanophora harlandii, Bauhinia purpurea, Berchemia racemosa, Xerochrysum viscosum, Brickellia vernicosa, Brucea javanica, Calicotome villosa, Carthamus tinctorius, Bauhinia glauca, Chrysanthemum indicum, Chrysanthemum morifolium, Chrysanthemum zawadskii, Chrysothamnus viscidiflorus, Citrus limon, Cota altissima, Cota palaestina, Croton steenkampianus, Cyclopia sessiliflora, Dalbergia parviflora, Deinandra lobbii, Deinandra pentactis, Dipteryx odorata, Dracocephalum tanguticum, Elsholtzia bodinieri, Encelia ventorum, Eriodictyon californicum, Eucalyptus globulus, Eupatorium hyssopifolium, Garcinia conrauana, Genista corsica, Hazardia squarrosa, Hypericum hircinum, Ilex centrochinensis, Kalmia latifolia, Larix gmelinii, Limonium aureum, Limonium sinense, Lippia origanoides, Luetkea pectinata, Lyonia ovalifolia, Matthiola incana, Millettia duchesnei, Ocimum basilicum, Origanum dictamnus, Origanum vulgare, Patrinia rupestris, Paulownia tomentosa, Peucephyllum schottii, Phlomis nissolii, Phyllanthus emblica, Pinus sibirica, Plagius grandis, Pogostemon stellatus, Populus tremula, Prunus campanulata, Prunus maximowiczii, Prunus persica, Psorothamnus polydenius, Rhamnus disperma, Rhamnus lycioides, Rhamnus pallasii, Rhaponticum carthamoides, Rhodiola rosea, Rubus phoenicolasius, Salvia officinalis, Salvia rosmarinus, Saracha punctata, Sarcophyte sanguinea, Satureja cuneifolia, Scutellaria baicalensis, Selaginella labordei, Smilax corbularia, Solanum hindsianum, Sorghum bicolor, Spatholobus suberectus, Stifftia chrysantha, Thymus herba-barona, Thymus vulgaris, Viburnum cotinifolium, Viscum coloratum, Wyethia angustifolia, Wyethia glabra, Xanthoceras sorbifolium and Xerochrysum bracteatum. (+)-Eriodictol was first documented in 1990 (PMID: 2155715). A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively (PMID: 16637230) (PMID: 10879486).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0050582 ((+)-Eriodictol)


  Mrv1652307102016272D          

 21 23  0  0  0  0            999 V2000
    1.0716    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 13  7  1  6  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 20 14  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
Download

3D MOL for NP0050582 ((+)-Eriodictol)

Download
3D SDF for NP0050582 ((+)-Eriodictol)

  Mrv1652307102016272D          

 21 23  0  0  0  0            999 V2000
    1.0716    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 13  7  1  6  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 20 14  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050582

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1

> <INCHI_KEY>
SBHXYTNGIZCORC-ZDUSSCGKSA-N

> <FORMULA>
C15H12O6

> <MOLECULAR_WEIGHT>
288.2522

> <EXACT_MASS>
288.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
27.326042752894896

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
2.15

> <JCHEM_LOGP>
2.5315427286666665

> <ALOGPS_LOGS>
-2.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.053712609058154

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.847641206936137

> <JCHEM_PKA_STRONGEST_BASIC>
-4.950235552435861

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
73.27069999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.66e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
eriodictyol

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0050582 ((+)-Eriodictol)
Download
PDB for NP0050582 ((+)-Eriodictol)
HEADER    PROTEIN                                 10-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-JUL-20         0                                  
HETATM    1  C   UNK     0       2.000   2.695   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.334   3.465   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.334   0.385   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.668  -1.155   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.334   1.155   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.667  -1.155   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.000   1.155   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.668   0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.668   2.695   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.668   1.155   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.334  -1.925   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.667  -1.925   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.667   0.385   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.001   0.385   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.001  -1.155   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -6.002   1.155   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       6.002   3.465   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -3.334  -3.465   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.667  -3.465   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.667   1.155   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.959   0.316   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   11                                                       
CONECT    5    8   14                                                       
CONECT    6   12   13                                                       
CONECT    7    1    3   13                                                  
CONECT    8    4    5   16                                                  
CONECT    9    2   10   17                                                  
CONECT   10    3    9   21                                                  
CONECT   11    4   15   18                                                  
CONECT   12    6   15   19                                                  
CONECT   13    6    7   20                                                  
CONECT   14    5   15   20                                                  
CONECT   15   11   12   14                                                  
CONECT   16    8                                                            
CONECT   17    9                                                            
CONECT   18   11                                                            
CONECT   19   12                                                            
CONECT   20   13   14                                                       
CONECT   21   10                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

Download
3D PDB for NP0050582 ((+)-Eriodictol)
Download
SMILES for NP0050582 ((+)-Eriodictol)
OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C(O)=C1
Download
INCHI for NP0050582 ((+)-Eriodictol)
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
Download
View in JSmol
Synonyms
ValueSource
(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyroneChEBI
(S)-EriodictyolChEBI
EriodictiolChEBI
(+)-EriodictyolHMDB
(2S)-EriodictyolHMDB
(S)-2,3-DihydroluteolinHMDB
(S)-3',4',5,7-TetrahydroxyflavanoneHMDB
(S)-3’,4’,5,7-tetrahydroxyflavanoneHMDB
3',4',5,7-TetrahydroxyflavanoneHMDB
3’,4’,5,7-tetrahydroxyflavanoneHMDB
(2S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneHMDB
(2S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-oneHMDB
HuazhongilexoneHMDB
Chemical FormulaC15H12O6
Average Mass288.2522 Da
Monoisotopic Mass288.06339 Da
IUPAC Name(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Nameeriodictyol
CAS Registry NumberNot Available
SMILES
OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C(O)=C1
InChI Identifier
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
InChI KeySBHXYTNGIZCORC-ZDUSSCGKSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Acacia pennatulaLOTUS Database
Acer pictum subsp. MonoLOTUS Database
Aglaia rubiginosaLOTUS Database
Agnorhiza invenustaLOTUS Database
Allagopappus dichotomusLOTUS Database
Allagopappus viscosissimusLOTUS Database
Ambrosia artemisioidesLOTUS Database
Ambrosia bidentataLOTUS Database
Anastatica hierochunticaLOTUS Database
Annona ambotayLOTUS Database
Anthemis auriculataLOTUS Database
Arachis hypogaeaLOTUS Database
Argemone mexicanaLOTUS Database
Artemisia dracunculusLOTUS Database
Artemisia vulgarisLOTUS Database
Artemisia xanthochroaLOTUS Database
Baccharis reticulariaLOTUS Database
Baccharis sagittalisLOTUS Database
Baccharis salicifoliaLOTUS Database
Balanophora harlandiiLOTUS Database
Bauhinia purpureaLOTUS Database
Berchemia racemosaLOTUS Database
Bracteantha viscosaLOTUS Database
Brickellia vernicosaLOTUS Database
Brucea javanicaLOTUS Database
Calicotome villosaLOTUS Database
Carthamus tinctoriusLOTUS Database
Cheniella glaucaLOTUS Database
Chrysanthemum indicumLOTUS Database
Chrysanthemum morifoliumLOTUS Database
Chrysanthemum zawadskiiLOTUS Database
Chrysothamnus viscidiflorusLOTUS Database
Citrus limonLOTUS Database
Cota altissimaLOTUS Database
Cota palaestinaLOTUS Database
Croton steenkampianusLOTUS Database
Cyclopia sessilifloraLOTUS Database
Dalbergia parvifloraLOTUS Database
Deinandra lobbiiLOTUS Database
Deinandra pentactisLOTUS Database
Dipteryx odorataLOTUS Database
Dracocephalum tanguticumLOTUS Database
Elsholtzia bodinieriLOTUS Database
Encelia ventorumLOTUS Database
Eriodictyon californicumLOTUS Database
Eucalyptus globulusLOTUS Database
Eupatorium hyssopifoliumLOTUS Database
Garcinia conrauanaLOTUS Database
Genista corsicaLOTUS Database
Hazardia squarrosaLOTUS Database
Hypericum hircinumLOTUS Database
Ilex centrochinensisLOTUS Database
Kalmia latifoliaLOTUS Database
Larix gmeliniLOTUS Database
Limonium aureumLOTUS Database
Limonium sinenseLOTUS Database
Lippia origanoidesLOTUS Database
Luetkea pectinataLOTUS Database
Lyonia ovalifoliaLOTUS Database
Matthiola incanaLOTUS Database
Millettia duchesneiLOTUS Database
Ocimum basilicumLOTUS Database
Origanum dictamnusLOTUS Database
Origanum vulgareLOTUS Database
Patrinia rupestrisLOTUS Database
Paulownia tomentosaLOTUS Database
Peucephyllum schottiiLOTUS Database
Phlomis nissoliiLOTUS Database
Phyllanthus emblicaLOTUS Database
Pinus sibiricaLOTUS Database
Plagius grandisLOTUS Database
Pogostemon stellatusLOTUS Database
Populus tremulaLOTUS Database
Prunus campanulataLOTUS Database
Prunus maximowicziiLOTUS Database
Prunus persicaLOTUS Database
Psorothamnus polydeniusLOTUS Database
Rhamnus dispermaLOTUS Database
Rhamnus lycioidesLOTUS Database
Rhamnus pallasiiLOTUS Database
Rhaponticum carthamoidesLOTUS Database
Rhodiola roseaLOTUS Database
Rubus phoenicolasiusLOTUS Database
Salvia officinalisLOTUS Database
Salvia rosmarinusLOTUS Database
Saracha punctataLOTUS Database
Sarcophyte sanguineaLOTUS Database
Satureja cuneifoliaLOTUS Database
Scutellaria baicalensisLOTUS Database
Selaginella labordeiLOTUS Database
Smilax corbulariaLOTUS Database
Solanum hindsianumLOTUS Database
Sorghum bicolorLOTUS Database
Spatholobus suberectusLOTUS Database
Stifftia chrysanthaLOTUS Database
Thymus herba-baronaLOTUS Database
Thymus vulgarisLOTUS Database
Viburnum cotinifoliumLOTUS Database
Viscum coloratumLOTUS Database
Wyethia angustifoliaLOTUS Database
Wyethia glabraLOTUS Database
Xanthoceras sorbifoliumLOTUS Database
Xerochrysum bracteatumLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassFlavonoids  
Sub ClassFlavans  
Direct ParentFlavanones  
Alternative Parents
Substituents
  • Flavanone
    • 

  • 3'-hydroxyflavonoid
    • 

  • 4'-hydroxyflavonoid
    • 

  • 5-hydroxyflavonoid
    • 

  • 7-hydroxyflavonoid
    • 

  • Hydroxyflavonoid
    • 

  • Chromone
    • 

  • Benzopyran
    • 

  • Chromane
    • 

  • 1-benzopyran
    • 

  • Catechol
    • 

  • Aryl ketone
    • 

  • Aryl alkyl ketone
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Phenol
    • 

  • 1-hydroxy-4-unsubstituted benzenoid
    • 

  • Alkyl aryl ether
    • 

  • Benzenoid
    • 

  • Monocyclic benzene moiety
    • 

  • Vinylogous acid
    • 

  • Ketone
    • 

  • Organoheterocyclic compound
    • 

  • Oxacycle
    • 

  • Ether
    • 

  • Organooxygen compound
    • 

  • Organic oxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.15ALOGPS
logP2.53ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.85ChemAxon
pKa (Strongest Basic)-5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity73.27 m³·mol⁻¹ChemAxon
Polarizability27.33 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0005810  
DrugBank IDNot Available
Phenol Explorer Compound ID202  
FoodDB IDFDB011936  
KNApSAcK IDC00000960  
Chemspider ID389606  
KEGG Compound IDC05631  
BioCyc IDCPD-7671  
BiGG IDNot Available
Wikipedia LinkEriodictyol  
METLIN ID3415  
PubChem Compound440735  
PDB IDNot Available
ChEBI ID28412  
Good Scents IDNot Available
References
General References
  1. 'T Hart BA, Ip Via Ching TR, Van Dijk H, Labadie RP: How flavonoids inhibit the generation of luminol-dependent chemiluminescence by activated human neutrophils. Chem Biol Interact. 1990;73(2-3):323-35. doi: 10.1016/0009-2797(90)90012-c. [PubMed:2155715  ] 
  2. Miyake Y, Sakurai C, Usuda M, Fukumoto S, Hiramitsu M, Sakaida K, Osawa T, Kondo K: Difference in plasma metabolite concentration after ingestion of lemon flavonoids and their aglycones in humans. J Nutr Sci Vitaminol (Tokyo). 2006 Feb;52(1):54-60. doi: 10.3177/jnsv.52.54. [PubMed:16637230  ] 
  3. Ogata S, Miyake Y, Yamamoto K, Okumura K, Taguchi H: Apoptosis induced by the flavonoid from lemon fruit (Citrus limon BURM. f.) and its metabolites in HL-60 cells. Biosci Biotechnol Biochem. 2000 May;64(5):1075-8. doi: 10.1271/bbb.64.1075. [PubMed:10879486  ]