KEGG COMPOUND: C00389

COMPOUND: C00389

Entry

C00389 Compound

Name

Quercetin;
3,3',4,5,7-Pentahydroxyflavone;
3,5,7,3',4'-Pentahydroxyflavone

Formula

C15H10O7

Exact mass

302.0427

Mol weight

302.2357

Structure

Reaction

R02156 R02157 R02158 R02159 R02160 R02436 R06538 R06810
R09803 R10258

Pathway

map00941

Flavonoid biosynthesis

map00944

Flavone and flavonol biosynthesis

map01100

Metabolic pathways

map01110

Biosynthesis of secondary metabolites

map04152

AMPK signaling pathway

Enzyme

1.13.11.24      1.14.14.81      1.14.14.82      1.14.20.6
2.1.1.76        2.4.1.91        2.4.1.237       2.4.1.-
2.8.2.25        3.2.1.66

Brite

Lipids [BR:br08002]
PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C00389  Quercetin
Phytochemical compounds [BR:br08003]
Flavonoids
  Flavonoids
   Flavonols
    C00389  Quercetin
Carcinogens [BR:br08008]
Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C00389  Quercetin
Target-based classification of compounds [BR:br08010]
Transporters
  Solute carrier family
   SLC22
    SLC22A8
     C00389  Quercetin

Other DBs

CAS:

117-39-5

PubChem:

ChEBI:

ChEMBL:

LIPIDMAPS:

KNApSAcK:

PDB-CCD:

QUE[PDBj]

3DMET:

B00102

NIKKAJI:

J2.907F

KCF data

ATOM        22
            1   C8y C    23.8117  -16.8649
            2   C8y C    23.8176  -15.4662
            3   C8y C    25.0242  -17.5703
            4   C8y C    22.6051  -17.5644
            5   O2x O    25.0358  -14.7667
            6   C8x C    22.6051  -14.7608
            7   C8y C    26.2307  -16.8766
            8   O5x O    25.0183  -18.9693
            9   C8x C    21.3870  -16.8649
            10  O1a O    22.6110  -18.9633
            11  C8y C    26.2365  -15.4719
            12  C8y C    21.3870  -15.4662
            13  O1a O    27.4373  -17.5761
            14  C8y C    27.4547  -14.7724
            15  O1a O    20.1745  -14.7608
            16  C8x C    28.6613  -15.4895
            17  C8x C    27.4606  -13.3794
            18  C8y C    29.8795  -14.7900
            19  C8x C    28.6789  -12.6857
            20  C8y C    29.8853  -13.3852
            21  O1a O    31.0861  -15.4895
            22  O1a O    31.1035  -12.6974
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   18  21 1
            21   20  22 1
            22    7  11 2
            23    9  12 2
            24   19  20 1

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