Products for Research Use Only
RegisterLogin

InteriotherinA

CAT: 0013-GTR19183418Size: 20 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19183418Size:20 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Interiotherin A is a small molecule inhibitor of HIV replication, demonstrating in vitro antiviral activity with an EC50 of 3.1 μg/mL. This compound is a useful research tool for studying HIV infection mechanisms and screening for potential antiviral agents in cell-based assays.
CAS Number
181701-06-4
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
O=C (OC1C2=CC=3OCOC3C (OC) =C2C=4C (OC) =C5OCOC5=CC4CC (C) C1C) C=6C=CC=CC6
Molecular Formula
C29H28O8
Molecular Weight
504.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Interiotherin A

Interiotherin A is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a lignan, an aromatic ether, a benzoate ester, an oxacycle and an organic heteropentacyclic compound.

CAS Number181701-06-4
PubChem CID21125391
IUPAC Name[(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
Molecular FormulaC29H28O8
Molecular Weight504.5
XLogP6.1
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity801
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4[C@@H]([C@H]1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
InChI
InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1
InChIKey
MBGKPRSARHEFAG-CCHLGUQTSA-N
Chemical Structure
2D Structure
2D structure of Interiotherin A
CAS: 181701-06-4
CID: 21125391
Formula: C29H28O8
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass504.17841785
Monoisotopic Mass504.17841785
Topological Polar Surface Area81.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19181340Interiotherin C
GTR19218308Interiotherin D

Alternative Products

CatalogName
HY-N6849InteriotherinA

Popular Products