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Dihydrolicoisoflavone

CAT: 0013-GTR19181649Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181649Size:5 mg
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Description
Dihydrolicoisoflavone
CAS Number
164163-92-2
Field of Research
Infectious Disease & Virology
Smiles
O=C1[C@H] (COC=2C1=C (O) C=C (O) C2) C3=C (O) C (CC=C (C) C) =C (O) C=C3
Molecular Formula
C20H20O6
Molecular Weight
356.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dihydrolicoisoflavone

(3S)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one has been reported in Swartzia polyphylla with data available.

CAS Number164163-92-2
PubChem CID134715142
IUPAC Name(3S)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Molecular FormulaC20H20O6
Molecular Weight356.4
XLogP4.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
CC(=CCC1=C(C=CC(=C1O)[C@H]2COC3=CC(=CC(=C3C2=O)O)O)O)C
InChI
InChI=1S/C20H20O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-8,14,21-24H,4,9H2,1-2H3/t14-/m1/s1
InChIKey
BAEYWOSUJSUYFI-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Dihydrolicoisoflavone
CAS: 164163-92-2
CID: 134715142
Formula: C20H20O6
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass356.12598835
Monoisotopic Mass356.12598835
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5787087Dihydrolicoisoflavone

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