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Koumidine

CAT: 0804-HY-N12576-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12576-02Size:5 mg
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Description
Koumidine is an alkaloid that can be isolated from Gelsemium elegans[1].
CAS Number
1358-75-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/koumidine.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@]2([H])[N@@](C/3)[C@](C[C@@]1([H])C3=C\C)([H])C4=C(C2)C5=CC=CC=C5N4
Molecular Formula
C19H22N2O
Molecular Weight
294.39
References & Citations
[1]Xu YK, et al. Koumine, Humantenine, and Yohimbane Alkaloids from Gelsemium elegans. J Nat Prod. 2015 Jul 24;78 (7) :1511-7.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sarpagan-17-ol, (16S,19Z)-
CAS Number1358-75-4
PubChem CID11312436
IUPAC Name[(1S,12S,13S,14R,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Molecular FormulaC19H22N2O
Molecular Weight294.4
XLogP2.1
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity490
SMILES
C/C=C/1\CN2[C@H]3C[C@@H]1[C@@H]([C@@H]2CC4=C3NC5=CC=CC=C45)CO
InChI
InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15-,17-,18-/m0/s1
InChIKey
VXTDUGOBAOLMED-DBPFMDJSSA-N
Chemical Structure
2D Structure
2D structure of Sarpagan-17-ol, (16S,19Z)-
CAS: 1358-75-4
CID: 11312436
Formula: C19H22N2O
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass294.173213330
Monoisotopic Mass294.173213330
Topological Polar Surface Area39.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity490
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

Related Products

CatalogName
HY-N1440-01Koumine
HY-N1440RKoumine (Standard)
HY-N3416-01Koumine N-oxide

Alternative Products

CatalogName
AB2836Koumidine

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