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Dehydrocavidine

CAT: 0931-TN1139-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1139-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83218-34-2
Target
Bcl-2 Family, PARP
Related Pathways
DNA Damage/DNA Repair, Apoptosis, Chromatin/Epigenetic
Bioactivity
Dehydrocavidine (Dehydrocorydaline) has antitumor activity, it inhibits MCF-7 cell proliferation by inducing apoptosis mediated by regulating Bax/Bcl-2, activating caspases as well as cleaving PARP.
Smiles
COC1=CC(C2=C(C)C(C=CC3=C4OCO3)=C4C=[N+]2C=C5)=C5C=C1OC
Molecular Formula
C21H18NO4
Molecular Weight
348.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-

Dehydrocavidine has been reported in Fumaria indica, Berberis, and other organisms with data available.

CAS Number83218-34-2
PubChem CID158329
IUPAC Name16,17-dimethoxy-12-methyl-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene
Molecular FormulaC21H18NO4+
Molecular Weight348.4
XLogP5.4
Topological Polar Surface Area41
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge1
Complexity516
SMILES
CC1=C2C=CC3=C(C2=C[N+]4=C1C5=CC(=C(C=C5C=C4)OC)OC)OCO3
InChI
InChI=1S/C21H18NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-10H,11H2,1-3H3/q+1
InChIKey
TWSZDJCOYVYRGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
CAS: 83218-34-2
CID: 158329
Formula: C21H18NO4+
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass348.12358306
Monoisotopic Mass348.12358306
Topological Polar Surface Area41 Ų
Heavy Atom Count26
Formal Charge1
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FD65683-01Dehydrocavidine

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