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(±) -Paniculidine A

CAT: 0804-HY-N11107Size: 1 EachDry Ice: NoHazardous: No
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Description
(±) -Paniculidine A is a natural product that can be found in Murraya paniculata[1].
CAS Number
106499-96-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/racemic-paniculidine-a.html
Solubility
10 mM in DMSO
Smiles
O=C(C(CCC1=CNC2=C1C=CC=C2)C)OC
Molecular Formula
C14H17NO2
Molecular Weight
231.29
References & Citations
[1]TakeshiKinoshita, et al. 3-Prenylindoles from Murraya paniculata and their biogenetic significance. Phytochemistry. 1989, 28 (1) : 147-151.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Paniculidine A

methyl 4-(1H-indol-3-yl)-2-methylbutanoate has been reported in Glycosmis pentaphylla and Murraya exotica with data available.

CAS Number106499-96-1
PubChem CID14166401
IUPAC Namemethyl 4-(1H-indol-3-yl)-2-methylbutanoate
Molecular FormulaC14H17NO2
Molecular Weight231.29
XLogP3.2
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity267
SMILES
CC(CCC1=CNC2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKey
OSINFMIOMWBGDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Paniculidine A
CAS: 106499-96-1
CID: 14166401
Formula: C14H17NO2
MW: 231.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.29
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass231.125928785
Monoisotopic Mass231.125928785
Topological Polar Surface Area42.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
XDA39993-01Paniculidine A
T83583-01(±) -Paniculidine A
MBS5825232(+/-)-Paniculidine A
XDA39994-01Paniculidine B
CS-BT-00490Paniculidine C

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