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Isoasatone A

CAT: 0013-GTR19177214-04Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177214-04Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isoasatone A is a natural compound derived from Heterotropa takaoi that exhibits activity against Spodoptera litura by targeting cytochrome P450 monooxygenase and glutathione transferase enzymes. This mode of action makes it a candidate for research in insect toxicology and the development of botanical insecticides, supported by in vitro enzymatic studies.
CAS Number
67451-73-4
Product Name Alternative
Cytochrome P450, anti-insect, Isoasatone A, inhibit, Inhibitor, S. litura
Field of Research
Metabolism Research
Purity
99.21% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.46 mM) ; DMSO:60 mg/mL (133.78 mM)
Smiles
C (C=C) C12C (C3C (OC) (OC) C (=O) C1 (OC) C=C3C=CC) C (OC) (OC) C (=O) C (OC) =C2
Molecular Formula
C24H32O8
Molecular Weight
448.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoasatone A

Isoasatone A has been reported in Asarum chingchengense, Asarum fauriei var. takaoi, and Asarum splendens with data available.

CAS Number67451-73-4
PubChem CID146014680
IUPAC Name(1S,2S,8R)-3,3,5,8,10,10-hexamethoxy-11-[(E)-prop-1-enyl]-7-prop-2-enyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
Molecular FormulaC24H32O8
Molecular Weight448.5
XLogP1.9
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity892
SMILES
C/C=C/C1=C[C@@]2(C(=O)C([C@H]1[C@H]3C2(C=C(C(=O)C3(OC)OC)OC)CC=C)(OC)OC)OC
InChI
InChI=1S/C24H32O8/c1-9-11-15-13-22(28-4)20(26)23(29-5,30-6)17(15)18-21(22,12-10-2)14-16(27-3)19(25)24(18,31-7)32-8/h9-11,13-14,17-18H,2,12H2,1,3-8H3/b11-9+/t17-,18+,21?,22+/m1/s1
InChIKey
JSAXPXNTZVWWDV-PGNHJLLYSA-N
Chemical Structure
2D Structure
2D structure of Isoasatone A
CAS: 67451-73-4
CID: 146014680
Formula: C24H32O8
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass448.20971797
Monoisotopic Mass448.20971797
Topological Polar Surface Area89.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
380509Isoasatone A

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