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16-Epivoacarpine

CAT: 0013-GTR19165442-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165442-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
16-Epivoacarpine is a bioactive alkaloid isolated from the plant Gelsemium elegans. This small molecule is utilized in pharmacological research, particularly in studies investigating its neurobiological activity and potential mechanisms of action in experimental models.
CAS Number
114027-38-2
Product Name Alternative
16 Epivoacarpine, 16Epivoacarpine, 16-Epivoacarpine, inhibit, Inhibitor
Purity
98.12% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.71 mM) ; DMSO:3.69 mg/mL (10.02 mM)
Smiles
[H][C@@]12Cc3c ([nH]c4ccccc34) [C@]3 (O) C[C@@] ([H]) (\C (CN13) =C/C) [C@@]2 (CO) C (=O) OC
Molecular Formula
C21H24N2O4
Molecular Weight
368.43
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

16-Epivoacarpine

16-Epi-voacarpine has been reported in Gelsemium sempervirens with data available.

CAS Number114027-38-2
PubChem CID13946382
IUPAC Namemethyl (1R,12S,13R,14S,15E)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Molecular FormulaC21H24N2O4
Molecular Weight368.4
XLogP0.7
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity681
SMILES
C/C=C\1/CN2[C@H]3CC4=C([C@@]2(C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45
InChI
InChI=1S/C21H24N2O4/c1-3-12-10-23-17-8-14-13-6-4-5-7-16(13)22-18(14)21(23,26)9-15(12)20(17,11-24)19(25)27-2/h3-7,15,17,22,24,26H,8-11H2,1-2H3/b12-3-/t15-,17-,20+,21+/m0/s1
InChIKey
ZROBSNVANUBAJZ-LWKNIGJSSA-N
Chemical Structure
2D Structure
2D structure of 16-Epivoacarpine
CAS: 114027-38-2
CID: 13946382
Formula: C21H24N2O4
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass368.17360725
Monoisotopic Mass368.17360725
Topological Polar Surface Area85.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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