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5,7-Dihydroxy-3,4,8-trimethoxyflavone

CAT: 1410-M38728-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M38728-01Size:1 Each
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Description
5,7-Dihydroxy-3,4',8-trimethoxyflavone (Substance E) can be isolated from Conyza stricta Willd.
CAS Number
1570-09-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
344.32
Molecular Formula
C18H16O7
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Herbacetin 3,8,4'-trimethyl ether

5,7-Dihydroxy-3,4',8-trimethoxyflavone has been reported in Conyza stricta, Pavonia malacophylla, and other organisms with data available.

CAS Number1570-09-8
PubChem CID13916278
IUPAC Name5,7-dihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC18H16O7
Molecular Weight344.3
XLogP3.1
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity524
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC
InChI
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)15-18(24-3)14(21)13-11(19)8-12(20)16(23-2)17(13)25-15/h4-8,19-20H,1-3H3
InChIKey
RXQVMRRNRHSOTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Herbacetin 3,8,4'-trimethyl ether
CAS: 1570-09-8
CID: 13916278
Formula: C18H16O7
MW: 344.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass344.08960285
Monoisotopic Mass344.08960285
Topological Polar Surface Area94.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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