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Pinobanksin 5-methyl ether

CAT: 0013-GTR19180803Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180803Size:5 mg
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Description
Pinobanksin 5-methyl ether is a bioactive flavonoid known to upregulate detoxification enzymes. This activity makes it a valuable research tool for investigating cellular defense mechanisms, oxidative stress responses, and chemoprevention in both in vitro and in vivo models.
CAS Number
119309-36-3
Field of Research
Infectious Disease & Virology
Smiles
COc1cc (O) cc2O[C@@H] ([C@@H] (O) C (=O) c12) c1ccccc1
Molecular Formula
C16H14O5
Molecular Weight
286.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-

4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)- has been reported in Dalbergia parviflora with data available.

CAS Number119309-36-3
PubChem CID147459
IUPAC Name(2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity379
SMILES
COC1=CC(=CC2=C1C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C16H14O5/c1-20-11-7-10(17)8-12-13(11)14(18)15(19)16(21-12)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1
InChIKey
NIMIDMFTGGTHOH-JKSUJKDBSA-N
Chemical Structure
2D Structure
2D structure of 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-
CAS: 119309-36-3
CID: 147459
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area76 Ų
Heavy Atom Count21
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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