Products for Research Use Only
RegisterLogin

Isolubimin

CAT: 0931-T211137-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T211137-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
60077-68-1
Target
Antifungal, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Isolubimin is a sesquiterpene phytochemical with antibacterial properties, identified in the fruit of Datura stramonium. It holds potential for research into plant diseases caused by fungal infections.
Smiles
C(O)[C@@H]1[C@@]2(C[C@H](C(C)=C)CC2)[C@H](C)CC(=O)C1
Molecular Formula
C15H24O2
Molecular Weight
236.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isolubimin

Isolubimin is a sesquiterpenoid.

CAS Number60077-68-1
PubChem CID21675000
IUPAC Name(3R,5S,6R,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-one
Molecular FormulaC15H24O2
Molecular Weight236.35
XLogP3.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity334
SMILES
C[C@@H]1CC(=O)C[C@@H]([C@]12CC[C@H](C2)C(=C)C)CO
InChI
InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m1/s1
InChIKey
YKAYVNCAHDGJNI-BHPKHCPMSA-N
Chemical Structure
2D Structure
2D structure of Isolubimin
CAS: 60077-68-1
CID: 21675000
Formula: C15H24O2
MW: 236.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.35
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass236.177630004
Monoisotopic Mass236.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-171795Isolubimin

Popular Products