Products for Research Use Only
RegisterLogin

Shyobunone

CAT: 0804-HY-N1304Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N1304Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Shyobunone (Shyobunon) is a nature product that could be isolated from Acorus calamus rhizomes. Shyobunone has insecticidal and repellant activity[1].
CAS Number
21698-44-2
Product Name Alternative
Shyobunon
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/shyobunone.html
Solubility
10 mM in DMSO
Smiles
O=C1[C@@H](C(C)=C)[C@](C)(C=C)CC[C@H]1C(C)C
Molecular Formula
C15H24O
Molecular Weight
220.35
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Chen HP, et, al. Repellant and insecticidal activities of shyobunone and isoshyobunone derived from the essential oil of Acorus calamus rhizomes. Pharmacogn Mag. 2015 Oct-Dec;11 (44) :675-81.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Shyobunone

(+)-Shyobunone is a sesquiterpenoid. It has a role as a metabolite.

CAS Number21698-44-2
PubChem CID5321293
IUPAC Name(2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one
Molecular FormulaC15H24O
Molecular Weight220.35
XLogP4.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity313
SMILES
CC(C)[C@@H]1CC[C@@]([C@@H](C1=O)C(=C)C)(C)C=C
InChI
InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3/t12-,13+,15+/m0/s1
InChIKey
GWHRSRIPLDHJHR-GZBFAFLISA-N
Chemical Structure
2D Structure
2D structure of Shyobunone
CAS: 21698-44-2
CID: 5321293
Formula: C15H24O
MW: 220.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.35
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass220.182715385
Monoisotopic Mass220.182715385
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity313
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

Alternative Products

CatalogName
GTR19183810-01Shyobunone

Popular Products