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Pinocembrin 5mg

CAT: 0628-A14759-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A14759-5Size:5 mg
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CAS Number
480-39-7

Chemical Information

(+)-Pinocembrin

Pinocembrin is a dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. It has a role as an antioxidant, a metabolite, an antineoplastic agent, a vasodilator agent and a neuroprotective agent. It is a (2S)-flavan-4-one and a dihydroxyflavanone.

CAS Number480-39-7
PubChem CID68071
IUPAC Name(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O4
Molecular Weight256.25
XLogP2.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity337
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
InChIKey
URFCJEUYXNAHFI-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (+)-Pinocembrin
CAS: 480-39-7
CID: 68071
Formula: C15H12O4
MW: 256.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.25
XLogP32.7
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
Complexity337
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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