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Khellol

CAT: 0804-HY-N15281Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N15281Size:1 Each
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Description
Khellol is a furanochromone derivative with feeding deterrent activity against insects. Khellol induces 12.12 % feeding inhibition at 100 ppm against Spodoptma litura larvae[1].
CAS Number
478-79-5
UNSPSC
12352005
Target
Insecticide
Related Pathways
Others
Field of Research
Others
Smiles
O=C1C=C(CO)OC2=C1C(OC)=C3C=COC3=C2
Molecular Formula
C13H10O5
Molecular Weight
246.22
References & Citations
[1]Devanand L.L., et al. Insect Antifeedant Activity of Furochromones: Structure-Activity Relationships. Journal of Natural Products. Vol 56/Issue 5, May 1, 1993
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Khellol

Khellol has been reported in Ammi visnaga and Actaea simplex with data available.

CAS Number478-79-5
PubChem CID164613
IUPAC Name7-(hydroxymethyl)-4-methoxyfuro[3,2-g]chromen-5-one
Molecular FormulaC13H10O5
Molecular Weight246.21
XLogP1
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity378
SMILES
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO
InChI
InChI=1S/C13H10O5/c1-16-13-8-2-3-17-10(8)5-11-12(13)9(15)4-7(6-14)18-11/h2-5,14H,6H2,1H3
InChIKey
QBZKHNHPZMJJJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Khellol
CAS: 478-79-5
CID: 164613
Formula: C13H10O5
MW: 246.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.21
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass246.05282342
Monoisotopic Mass246.05282342
Topological Polar Surface Area68.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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