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Cedrelone

CAT: 0931-TN3616-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-TN3616-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1254-85-9
Target
MMP, Antifection, Apoptosis
Related Pathways
Microbiology/Virology, Proteases/Proteasome, Apoptosis
Bioactivity
Cedrelone is a citrulline analog and a phenazine biosynthesis-like domain protein (PBLD) activator.Cedrelone induces apoptosis in cancer cells.Cedrelone is a very potent inducer of apoptosis, causing cell cycle arrest.Cedrelone has insecticidal activity, inhibiting the growth of arrowhead venom of P. saucia and inhibiting moulting of the milkweed bug (Oncopeltus fasciatus) . Cedrelone has insecticidal activity, inhibiting the growth of P. saucia and inhibiting moulting of the milkweed bug (Oncopeltus fasciatus) .Cedrelone has antitumor effects and exhibits significant cytotoxicity against cancer cell lines such as -60, SMMC-7721, A-549, MCF-7, and SW480.Cedrelone is a very potent inducer of apoptosis, causing cell cycle arrest.Cedrelone is a very potent inducer of apoptosis, leading to cell cycle arrest.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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CatalogName
BAA25485-01Cedrelone

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