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Tenuiphenone B

CAT: 0804-HY-N12433-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12433-01Size:1 mg
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Description
Tenuiphenone B is a benzophenone isolated from the ethanolic extract of Polygala tenuifolia.
CAS Number
870298-00-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tenuiphenone-b.html
Solubility
10 mM in DMSO
Smiles
OC1=C([C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(O)=C(C(O)=C1[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C(C4=CC(O)=CC=C4)=O
Molecular Formula
C25H30O15
Molecular Weight
570.50
References & Citations
[1]Jiang Y, et al.Four new phenones from the cortexes of Polygala tenuifolia. Chem Pharm Bull (Tokyo) . 2005 Sep;53 (9) :1164-6.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Tenuiphenone B

Tenuiphenone B has been reported in Polygala tenuifolia with data available.

CAS Number870298-00-3
PubChem CID11642656
IUPAC Name(3-hydroxyphenyl)-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
Molecular FormulaC25H30O15
Molecular Weight570.5
XLogP-2.5
Topological Polar Surface Area278
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity812
SMILES
C1=CC(=CC(=C1)O)C(=O)C2=C(C(=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C25H30O15/c26-5-9-15(30)20(35)22(37)24(39-9)12-17(32)11(14(29)7-2-1-3-8(28)4-7)18(33)13(19(12)34)25-23(38)21(36)16(31)10(6-27)40-25/h1-4,9-10,15-16,20-28,30-38H,5-6H2/t9-,10-,15-,16-,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey
ACDGKRITKJCDLI-QUVGRWIJSA-N
Chemical Structure
2D Structure
2D structure of Tenuiphenone B
CAS: 870298-00-3
CID: 11642656
Formula: C25H30O15
MW: 570.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.5
XLogP3-2.5
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass570.15847025
Monoisotopic Mass570.15847025
Topological Polar Surface Area278 Ų
Heavy Atom Count40
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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