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Khusimol

CAT: 0931-T25577-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25577-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16223-63-5
Target
Vasopressin Receptor, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
Khusimol is a vasopressin V1a receptors non-peptide ligand that acts by inhibiting the binding of vasopressin.
Smiles
C(O)[C@@H]1[C@@]23[C@@](C(=C)C(C)(C)[C@@](C2)(CC3)[H])(CC1)[H]
Molecular Formula
C15H24O
Molecular Weight
220.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Khusimol

khusimol has been reported in Chrysopogon zizanioides with data available.

CAS Number16223-63-5
PubChem CID167519
IUPAC Name[(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol
Molecular FormulaC15H24O
Molecular Weight220.35
XLogP3.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity330
SMILES
CC1([C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)CO)C
InChI
InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m1/s1
InChIKey
OOYRHNIVDZZGQV-BHPKHCPMSA-N
Chemical Structure
2D Structure
2D structure of Khusimol
CAS: 16223-63-5
CID: 167519
Formula: C15H24O
MW: 220.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.35
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass220.182715385
Monoisotopic Mass220.182715385
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity330
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-114594Khusimol

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