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Venuloside A

CAT: 1410-M37862-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M37862-02Size:5 mg
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Description
Venuloside A (ESK246), a monoprostane glycoside from Pittosporum venulosum, is a LAT3 inhibitor and a leucine uptake inhibitor that inhibits the transporter of leucine through LAT3, and may be used in the study of prostate cancer.
CAS Number
1609278-97-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
424.53
Molecular Formula
C23H36O7
Notes
Research use only, not for human use.
Receptor
Transporter

Chemical Information

Venuloside A

[(2R,3S,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-methyl-6-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-4-yl] 3-methylbut-2-enoate has been reported in Pittosporum venulosum with data available.

CAS Number1609278-97-8
PubChem CID122180069
IUPAC Name[(2R,3S,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-methyl-6-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-4-yl] 3-methylbut-2-enoate
Molecular FormulaC23H36O7
Molecular Weight424.5
XLogP3.3
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity690
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(C)(C)[C@@H]2CCC(=CC2)C)OC(=O)C)OC(=O)C=C(C)C)O
InChI
InChI=1S/C23H36O7/c1-13(2)12-18(25)29-20-19(26)15(4)27-22(21(20)28-16(5)24)30-23(6,7)17-10-8-14(3)9-11-17/h8,12,15,17,19-22,26H,9-11H2,1-7H3/t15-,17+,19+,20+,21-,22+/m1/s1
InChIKey
OWFNCOMYPJMMPG-CIKNZCACSA-N
Chemical Structure
2D Structure
2D structure of Venuloside A
CAS: 1609278-97-8
CID: 122180069
Formula: C23H36O7
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass424.24610348
Monoisotopic Mass424.24610348
Topological Polar Surface Area91.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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