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Hydrangenol

CAT: 0127-BUP07527-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07527-06Size:500 mg
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CAS Number
480-47-7
Purity
=98%
Smiles
O=C1C=2C(CC(O1)C3=CC=C(O)C=C3)=CC=CC2O

Chemical Information

3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one

Hydrangenol is a member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. It has a role as an anti-allergic agent and a plant metabolite. It is a member of phenols and a member of dihydroisocoumarins. It is functionally related to a 3,4-dihydroisocoumarin.

CAS Number480-47-7
PubChem CID119199
IUPAC Name8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
Molecular FormulaC15H12O4
Molecular Weight256.25
XLogP3.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
InChIKey
DGKDFNDHPXVXHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
CAS: 480-47-7
CID: 119199
Formula: C15H12O4
MW: 256.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.25
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass256.07355886
Monoisotopic Mass256.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AAA48047-01Hydrangenol
A24239-1Hydrangenol 1mg
A24239-50Hydrangenol 50mg
A24239-5Hydrangenol 5mg
A24239-10Hydrangenol 10mg
HY-N4027Hydrangenol 8-O-glucoside
TBZ1412(-)-Hydrangenol 4'-O-glucoside
HY-N0962(3R) -Hydrangenol 8-O-glucoside pentaacetate
GTR19182509(3S) -Hydrangenol 8-O-glucoside pentaacetate
MBS5786940(3S)-Hydrangenol 8-O-glucoside pentaacetate

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