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Voacamine

CAT: 0013-GTR19155281-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155281-03Size:500 mg
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Description
Voacamine is an indole alkaloid. Voacamine exhibits potent cannabinoid CB1 receptor antagonistic activity. Voacamine also inhibits P-glycoprotein (P-gp) action in multidrug-resistant tumor cells.Voacanginine may have rhythmic effects.
CAS Number
3371-85-5
Product Name Alternative
Voacanginine
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
O=C (C1 (C (C (C2) CC) N3CC2C1) C4=C (CC3) C (C=C (OC) C ([C@H] (CC (/C (CN5C) =C/C) C (C (OC) =O) [C@H]5C6) C7=C6C (C=CC=C8) =C8N7) =C9) =C9N4) OC
Molecular Formula
C43H52N4O5
Molecular Weight
704.91
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Voacamine

Voacamine is a citraconoyl group.

CAS Number3371-85-5
PubChem CID11953931
IUPAC Namemethyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Molecular FormulaC43H52N4O5
Molecular Weight704.9
XLogP6.1
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1410
SMILES
CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)[C@H]6C[C@@H]\7C([C@@H](CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1
InChIKey
VCMIRXRRQJNZJT-XRMSBCOFSA-N
Chemical Structure
2D Structure
2D structure of Voacamine
CAS: 3371-85-5
CID: 11953931
Formula: C43H52N4O5
MW: 704.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.9
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass704.39377077
Monoisotopic Mass704.39377077
Topological Polar Surface Area99.9 Ų
Heavy Atom Count52
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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