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Comosone II

CAT: 0931-T82692-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82692-01Size:5 mg
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CAS Number
1142922-55-1
Bioactivity
Comosone II (Compound 4), a compound isolated from Curcuma zedoaria, exhibits moderate antiproliferative activity. For Ca Ski cancer cells, its IC50 value is 76 μg/mL, showing its inhibitory effect on cancer cell growth.
Smiles
C(C)(C)=C1[C@]2([C@@](C(C)=CC1=O)(CCC(C)=C2)[H])[H]
Molecular Formula
C15H20O
Molecular Weight
216.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Comosone II
CAS Number1142922-55-1
PubChem CID25158371
IUPAC Name(4aS,8aR)-4,7-dimethyl-1-propan-2-ylidene-4a,5,6,8a-tetrahydronaphthalen-2-one
Molecular FormulaC15H20O
Molecular Weight216.32
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity417
SMILES
CC1=C[C@@H]2[C@H](CC1)C(=CC(=O)C2=C(C)C)C
InChI
InChI=1S/C15H20O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h7-8,12-13H,5-6H2,1-4H3/t12-,13-/m1/s1
InChIKey
WFCQRHPAVQIDTH-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of Comosone II
CAS: 1142922-55-1
CID: 25158371
Formula: C15H20O
MW: 216.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.32
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass216.151415257
Monoisotopic Mass216.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M38215Comosone II

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