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5-Deoxystrigol

CAT: 0013-GTR19156070-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156070-02Size:200 mg
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Description
5-Deoxystrigol is a highly active Striga germination stimulant. It has a protective effect on D-galactosamine (D-GalN) induced mice acute liver injury and has a protective effect on CCl4 induced mice acute liver injury.
CAS Number
151716-18-6
Purity
>98% (HPLC)
Smiles
CC1=C[C@@H] (OC1=O) O/C=C/2\[C@H]3CC4=C ([C@H]3OC2=O) C (CCC4) (C) C
Molecular Formula
C19H22O5
Molecular Weight
330.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5-Deoxystrigol

5-deoxystrigol is an indenofuran in which the hydroxy group of the 5-deoxystrigol ABC-rings in substituted by a [(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy group. It has a role as a plant metabolite. It is an indenofuran and a strigolactone. It is functionally related to a member of 5-deoxystrigol ABC-rings.

CAS Number151716-18-6
PubChem CID15102684
IUPAC Name(3E,3aR,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
Molecular FormulaC19H22O5
Molecular Weight330.4
XLogP2.7
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity709
SMILES
CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=C([C@H]3OC2=O)C(CCC4)(C)C
InChI
InChI=1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1
InChIKey
QXTUQXRFEBHUBA-DYLOANJQSA-N
Chemical Structure
2D Structure
2D structure of 5-Deoxystrigol
CAS: 151716-18-6
CID: 15102684
Formula: C19H22O5
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass330.14672380
Monoisotopic Mass330.14672380
Topological Polar Surface Area61.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes