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Cedrelone

CAT: 0013-GTR19181887-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19181887-01Size:1 ml x 10 mM (in DMSO)
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Description
Cedrelone is a citrulline analog and PBLD activator with potent pro-apoptotic and cell cycle-arresting activity in various cancer cell lines. It also exhibits insecticidal properties by inhibiting growth and moulting in species like Oncopeltus fasciatus.
CAS Number
1254-85-9
Field of Research
Cell Biology, Infectious Disease & Virology, Protein Biochemistry
Smiles
C[C@]12[C@]34[C@] (C) ([C@@H] (C[C@]3 (O4) [H]) C=5C=COC5) CC[C@@]1 ([C@]6 (C) C (=C (O) C2=O) C (C) (C) C (=O) C=C6) [H]
Molecular Formula
C26H30O5
Molecular Weight
422.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cedrelone

CEDRELONE is a limonoid.

CAS Number1254-85-9
PubChem CID21596358
IUPAC Name(1R,2R,4R,6S,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
Molecular FormulaC26H30O5
Molecular Weight422.5
XLogP3.7
Topological Polar Surface Area80
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity976
SMILES
C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C(C4=C(C(=O)[C@]3([C@@]15[C@H](O5)C[C@H]2C6=COC=C6)C)O)(C)C)C
InChI
InChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23+,24-,25-,26+/m0/s1
InChIKey
OQMUOVSEPOBWMK-BWLMZZBKSA-N
Chemical Structure
2D Structure
2D structure of Cedrelone
CAS: 1254-85-9
CID: 21596358
Formula: C26H30O5
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass422.20932405
Monoisotopic Mass422.20932405
Topological Polar Surface Area80 Ų
Heavy Atom Count31
Formal Charge0
Complexity976
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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