Phellamurin

CAT: 0127-BUP02964-03Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP02964-03Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

52589-11-4

Purity

=90%

Smiles

C(C=C(C)C)C1=C2C(C(=O)[C@H](O)[C@H](O2)C3=CC=C(O)C=C3)=C(O)C=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Chemical Information

Phellamurin

Phellamurin is a member of the class of dihydroflavonols that is (+)-dihydrokaempferol substituted by a prenyl group at position 8 and a beta-D-glucopyranosyl group at position 7 via a glycosidic linkage. Isolated from Phellodendron amurense and Commiphora africana, it exhibits inhibition of intestinal P-glycoprotein. It has a role as a metabolite. It is a member of 4'-hydroxyflavanones, a beta-D-glucoside, a trihydroxyflavanone, a member of dihydroflavonols, a monosaccharide derivative and a flavanone glycoside. It is functionally related to a (+)-dihydrokaempferol.

CAS Number	52589-11-4
PubChem CID	193876
IUPAC Name	(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular Formula	C26H30O11
Molecular Weight	518.5
XLogP	2
Topological Polar Surface Area	186
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	808

SMILES

CC(=CCC1=C(C=C(C2=C1O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C

InChI

InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1

InChIKey

GRDZTDZJQRPNCN-YIANMRPHSA-N

Chemical Structure

2D Structure

CAS: 52589-11-4

CID: 193876

Formula: C26H30O11

MW: 518.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	518.5
XLogP3	2
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	518.17881177
Monoisotopic Mass	518.17881177
Topological Polar Surface Area	186 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	808
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA3218-1	Phellamurin

Phellamurin

Chemical Information

Alternative Products

Popular Products