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Chemical structure of Penduletin

GC74270

Penduletin

Also known as 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one

Penduletin is a flavone, that can be isolated from Brickelia pendula and Vitex negundo

ChemicalCAS569-80-2MW344.32FormulaC18H16O7
CAS number
569-80-2
Molecular weight
344.32
Formula
C18H16O7
Solubility
Ethanol ： 5 mg/mL (14·52 mM; Need ultrasonic and warming)
InChIKey
YSXFFLGRZJWNFM-UHFFFAOYSA-N
Catalogue number
GC74270
Brand
GLPBIO
Computed properties PubChem CID 5320462 · XLogP 3.1 · TPSA 94.5 Ų · H-bond donors 2
XLogP
3.1
TPSA
94.5 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

SMILES COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC

Computed descriptors from PubChem (CID 5320462), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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