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Chemical structure of Irilone

GC76242

Irilone

Also known as 9-hydroxy-7-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one

Irilone (compound 13) is a kind of flavonoid

ChemicalCAS41653-81-0MW298.25FormulaC16H10O6
CAS number
41653-81-0
Molecular weight
298.25
Formula
C16H10O6
Solubility
DMSO： 4 mg/mL (13·41 mM; Need ultrasonic and warming)
InChIKey
NUGRQNBDTZWXTP-UHFFFAOYSA-N
Catalogue number
GC76242
Brand
GLPBIO
Computed properties PubChem CID 5281779 · XLogP 2.8 · TPSA 85.2 Ų · H-bond donors 2
XLogP
2.8
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

SMILES C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O

Computed descriptors from PubChem (CID 5281779), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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