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Fiscalin C

CAT: 0804-HY-N12901Size: 1 EachDry Ice: NoHazardous: No
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Description
Fiscalin C (Ficalin C) is an alkaloid and can be isolated from Stentrophomonas maltophilia[1].
CAS Number
149008-36-6
Product Name Alternative
Ficalin C
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fiscalin-c.html
Solubility
10 mM in DMSO
Smiles
O[C@@]1([C@@]2([H])N(C(C(C)(N2)C)=O)C3=CC=CC=C31)C[C@H]4N5C([C@@H](NC4=O)C(C)C)=NC6=CC=CC=C6C5=O
Molecular Formula
C27H29N5O4
Molecular Weight
487.55
References & Citations
[1]Qian SY, et al. New pyrazinoquinazoline alkaloids Isolated from a culture of Stenotrophomonas maltophilia QB-77. Nat Prod Res. 2019 May;33 (9) :1387-1391.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Fiscalin C

Fiscalin C has been reported in Aspergillus with data available.

CAS Number149008-36-6
PubChem CID10413172
IUPAC Name(1S,4R)-4-[[(3aR,4S)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Molecular FormulaC27H29N5O4
Molecular Weight487.5
XLogP1.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity1010
SMILES
CC(C)[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@]4([C@@H]5NC(C(=O)N5C6=CC=CC=C64)(C)C)O
InChI
InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24-,27+/m1/s1
InChIKey
VHQZIMAMLQIPDR-SHYROUOXSA-N
Chemical Structure
2D Structure
2D structure of Fiscalin C
CAS: 149008-36-6
CID: 10413172
Formula: C27H29N5O4
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass487.22195442
Monoisotopic Mass487.22195442
Topological Polar Surface Area114 Ų
Heavy Atom Count36
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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