kaempferol

Synonyms: "kempferol", "populnetin", "rhamnolutein", "robigenin", "trifolitin", "pelargidenolon", "kaempherol", "rhamnolutin", "swartziol"

Source: kaempferol is a flavonoid that is abundant in a variety of plant leaves and fruits.

Identifiers:

IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS Number: 520-18-3
PubChem ID: 5280863
InChiKey: IYRMWMYZSQPJKC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

Structural Properties:

Molecular Formula: C₁₅H₁₀O₆
Molecular Weight: 286.236

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 6
Number of atoms different from hydrogen: 21

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kuiper GGJM, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg P, Gustafsson JA. 1998. Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology 139(10):4252-4263.

Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G. 2004. Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Analytical & Bioanalytical Chemistry 378(3)