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7-Methoxy-β-carboline-1-propionic acid

CAT: 0804-HY-N7173-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7173-01Size:10 mg
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Description
7-Methoxy-β-carboline-1-propionic acid (compound 46) is a cytotoxic and antimalarial compound. 7-Methoxy-β-carboline-1-propionic acid can be extracted from the roots of Eurycoma longifolia[1].
CAS Number
137756-13-9
UNSPSC
12352005
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/7-methoxy-β-carboline-1-propionic-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCC1=NC=CC2=C1NC3=C2C=CC(OC)=C3
Molecular Formula
C15H14N2O3
Molecular Weight
270.28
References & Citations
[1]Kuo PC, et al. Cytotoxic and antimalarial constituents from the roots of Eurycoma longifolia. Bioorg Med Chem. 2004 Feb 1;12 (3) :537-44.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Plasmodium

Chemical Information

7-Methoxy-Beta-Carboline-1-Propionic Acid

3-(7-Methoxy-9H-beta-carbolin-1-yl)propanoic acid has been reported in Eurycoma longifolia with data available.

CAS Number137756-13-9
PubChem CID12082492
IUPAC Name3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Molecular FormulaC15H14N2O3
Molecular Weight270.28
XLogP3
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity363
SMILES
COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
InChI
InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
InChIKey
WEBVBZDGWMAXEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxy-Beta-Carboline-1-Propionic Acid
CAS: 137756-13-9
CID: 12082492
Formula: C15H14N2O3
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass270.10044231
Monoisotopic Mass270.10044231
Topological Polar Surface Area75.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity363
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

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