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Fellutanine A

CAT: 0804-HY-N8548Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N8548Size:1 Each
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Description
Fellutanine A, a diketopiperazine alkaloid, is a fungal metabolite from cultures of Penicillium fellutanum[1].
CAS Number
175414-35-4
UNSPSC
12352005
Hazard Statement
H315-H319-H320
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fellutanine-a.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@H]1CC2=CNC3=CC=CC=C23)[C@H](NC1=O)CC4=CNC5=CC=CC=C45
Molecular Formula
C22H20N4O2
Molecular Weight
372.42
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1][1]A G Kozlovsky, et al. New diketopiperazine alkaloids from Penicillium fellutanum.J Nat Prod. 2000 May;63 (5) :698-700.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Microbial Metabolite

Chemical Information

Fellutanine A

Fellutanine is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by 1H-indol-3-ylmethyl groups at positions 3 and 6 respectively. Isolated from Penicillium species, it exhibits antibacterial activity. It has a role as an antibacterial agent and a Penicillium metabolite. It is an indole alkaloid and a member of 2,5-diketopiperazines.

CAS Number175414-35-4
PubChem CID6571639
IUPAC Name(3S,6R)-3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione
Molecular FormulaC22H20N4O2
Molecular Weight372.4
XLogP2.9
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H]3C(=O)N[C@H](C(=O)N3)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20+
InChIKey
DNHODRZUCGXYKU-BGYRXZFFSA-N
Chemical Structure
2D Structure
2D structure of Fellutanine A
CAS: 175414-35-4
CID: 6571639
Formula: C22H20N4O2
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass372.15862589
Monoisotopic Mass372.15862589
Topological Polar Surface Area89.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5794741Fellutanine A

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