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7,4'-Dihydroxy-8-methylflavan

CAT: 0804-HY-N9286Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N9286Size:1 Each
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Description
7,4'-Dihydroxy-8-methylflavan is a Flavonoids product that can be isolated from the red resin of Dracaena cochinchinensis.[1].
CAS Number
82925-55-1
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/7-4-dihydroxy-8-methylflavan.html
Smiles
OC1=CC=C2CC[C@@H](C3=CC=C(O)C=C3)OC2=C1C
Molecular Formula
C16H16O3
Molecular Weight
256.30
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

7,4'-Dihydroxy-8-methylflavan

7,4'-Dihydroxy-8-methylflavan is a hydroxyflavonoid.

CAS Number82925-55-1
PubChem CID442361
IUPAC Name(2S)-2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC16H16O3
Molecular Weight256.30
XLogP3.5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity298
SMILES
CC1=C(C=CC2=C1O[C@@H](CC2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H16O3/c1-10-14(18)8-4-12-5-9-15(19-16(10)12)11-2-6-13(17)7-3-11/h2-4,6-8,15,17-18H,5,9H2,1H3/t15-/m0/s1
InChIKey
GDHZZZRERDPSTA-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 7,4'-Dihydroxy-8-methylflavan
CAS: 82925-55-1
CID: 442361
Formula: C16H16O3
MW: 256.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.30
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass256.109944368
Monoisotopic Mass256.109944368
Topological Polar Surface Area49.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity298
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

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