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Interiorin

CAT: 0804-HY-N11949-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11949-02Size:5 mg
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Description
Interiorin can be isolated from Kadsura heteroclita and has moderate anti-HIV activity with an EC50 value of 1.6 lg/mL[1].
CAS Number
119139-55-8
UNSPSC
12352005
Target
HIV
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/interiorin.html
Purity
99.24
Solubility
10 mM in DMSO
Smiles
O=C(/C(C)=C/C)O[C@H]1C2=C3[C@]4(C(OC)=C(C(C=C4C[C@H]([C@H]1C)C)=O)OC)COC3=C5OCOC5=C2
Molecular Formula
C27H30O8
Molecular Weight
482.52
References & Citations
[1]Pu JX, et al. Compounds from Kadsura heteroclita and related anti-HIV activity. Phytochemistry. 2008 Mar;69 (5) :1266-72.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Interiorin

Interiorin has been reported in Kadsura interior, Kadsura heteroclita, and Schisandra rubriflora with data available.

CAS Number119139-55-8
PubChem CID163019810
IUPAC Name[(1S,12R,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (E)-2-methylbut-2-enoate
Molecular FormulaC27H30O8
Molecular Weight482.5
XLogP4.1
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity995
SMILES
C/C=C(\C)/C(=O)O[C@@H]1[C@@H]([C@@H](CC2=CC(=O)C(=C([C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C
InChI
InChI=1S/C27H30O8/c1-7-13(2)26(29)35-21-15(4)14(3)8-16-9-18(28)22(30-5)25(31-6)27(16)11-32-24-20(27)17(21)10-19-23(24)34-12-33-19/h7,9-10,14-15,21H,8,11-12H2,1-6H3/b13-7+/t14-,15-,21-,27+/m1/s1
InChIKey
NACPYYYBTUKNNL-YQYGNINJSA-N
Chemical Structure
2D Structure
2D structure of Interiorin
CAS: 119139-55-8
CID: 163019810
Formula: C27H30O8
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass482.19406791
Monoisotopic Mass482.19406791
Topological Polar Surface Area89.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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