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Aviculin

CAT: 1410-M39668-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Aviculin, a lignan glycoside, is a potent anticancer agent. Aviculin reduces metabolic activity on MCF-7 cells below 50%, with an IC50 of 75.47 μM.
CAS Number
156765-33-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
506.54
Molecular Formula
C26H34O10
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Aviculin

Aviculin has been reported in Breynia rostrata, Breynia fruticosa, and other organisms with data available.

CAS Number156765-33-2
PubChem CID10391477
IUPAC Name(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Molecular FormulaC26H34O10
Molecular Weight506.5
XLogP1
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity696
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]2[C@@H](CC3=CC(=C(C=C3[C@@H]2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
InChI
InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1
InChIKey
FPJFPMQEUVMUKU-CDDCGRQRSA-N
Chemical Structure
2D Structure
2D structure of Aviculin
CAS: 156765-33-2
CID: 10391477
Formula: C26H34O10
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass506.21519728
Monoisotopic Mass506.21519728
Topological Polar Surface Area158 Ų
Heavy Atom Count36
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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