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6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone

CAT: 0931-T125628-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125628-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
167416-97-9
Target
Others
Related Pathways
Others
Bioactivity
6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone is a useful organic compound for research related to life sciences. The catalog number is T125628 and the CAS number is 167416-97-9.
Smiles
COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(O)c(OC)c2c(=O)c1OC
Molecular Formula
C21H22O9
Molecular Weight
418.398
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone

6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone has been reported in Citrus reticulata, Citrus deliciosa, and Citrus unshiu with data available.

CAS Number167416-97-9
PubChem CID131753119
IUPAC Name2-(3,4-dimethoxyphenyl)-6-hydroxy-3,5,7,8-tetramethoxychromen-4-one
Molecular FormulaC21H22O9
Molecular Weight418.4
XLogP2.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity636
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)O)OC)OC)OC)OC
InChI
InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)15(23)20(28-5)21(29-6)18(13)30-16/h7-9,23H,1-6H3
InChIKey
VCOWIXWIOZUOJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone
CAS: 167416-97-9
CID: 131753119
Formula: C21H22O9
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass418.12638228
Monoisotopic Mass418.12638228
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity636
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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HY-N50308-Hydroxy-3,5,6,7,3',4'-hexamethoxyflavone
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