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Hinokinin (Standard)

CAT: 0804-HY-N10420RSize: 1 EachDry Ice: NoHazardous: No
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Description
Hinokinin (Standard) is the analytical standard of Hinokinin. This product is intended for research and analytical applications. Hinokinin (Compound 1) is a compound isolated from the stems of Hypoestes aristate. Hinokinin exhibits moderate activity of HIV-1 protease enzyme[1].
CAS Number
26543-89-5
Product Name Alternative
(-) -Hinokinin (Standard)
UNSPSC
12352005
Target
HIV Protease; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Metabolic Enzyme/Protease; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hinokinin-standard.html
Smiles
O=C(OC1)[C@H](CC2=CC=C(OCO3)C3=C2)[C@H]1CC4=CC=C(OCO5)C5=C4
Molecular Formula
C20H18O6
Molecular Weight
354.35
References & Citations
[1]Ramabulana T, et al. Bioactive Lignans from Hypoestes aristata. J Nat Prod. 2020;83 (8) :2483-2489.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Hinokinin

Hinokinin is a lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer). It has a role as a trypanocidal drug. It is a lignan, a gamma-lactone and a member of benzodioxoles.

CAS Number26543-89-5
PubChem CID442879
IUPAC Name(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Molecular FormulaC20H18O6
Molecular Weight354.4
XLogP3.7
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity524
SMILES
C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
InChIKey
DDWGQGZPYDSYEL-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of Hinokinin
CAS: 26543-89-5
CID: 442879
Formula: C20H18O6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass354.11033829
Monoisotopic Mass354.11033829
Topological Polar Surface Area63.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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