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Albofungin

CAT: 0013-GTR19198274-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198274-02Size:1 mg
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Description
Albofungin is a xanthone compound derived from the fungus A. tumemacerans. It exhibits potent antifungal and antitumor activities, making it a valuable tool for in vitro studies in microbiology and oncology research, particularly in investigating mechanisms of action against pathogenic fungi and cancer cells.
CAS Number
37895-35-5
Field of Research
Infectious Disease & Virology
Smiles
[H][C@]12Cc3cc4cc (C) n (N) c (=O) c4c (O) c3-c3c (O) c4c (oc5[C@@H] (CC[C@H] (O) c5c4=O) OC) c (OCO1) c23
Molecular Formula
C27H24N2O9
Molecular Weight
520.494
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Albofungin
CAS Number37895-35-5
PubChem CID20054819
IUPAC Name(13R,21S,24R)-6-amino-3,21,28-trihydroxy-24-methoxy-7-methyl-14,16,26-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(28),2(11),3,7,9,17(29),18(27),20(25)-octaene-5,19-dione
Molecular FormulaC27H24N2O9
Molecular Weight520.5
XLogP1.1
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count38
Formal Charge0
Complexity1110
SMILES
CC1=CC2=CC3=C(C4=C(C5=C(C6=C4[C@@H](C3)OCO6)C(=O)C7=C(O5)[C@@H](CC[C@@H]7O)OC)O)C(=C2C(=O)N1N)O
InChI
InChI=1S/C27H24N2O9/c1-9-5-10-6-11-7-14-18-19(15(11)21(31)16(10)27(34)29(9)28)23(33)26-20(25(18)37-8-36-14)22(32)17-12(30)3-4-13(35-2)24(17)38-26/h5-6,12-14,30-31,33H,3-4,7-8,28H2,1-2H3/t12-,13+,14+/m0/s1
InChIKey
LYKFTVCDYGGLGW-BFHYXJOUSA-N
Chemical Structure
2D Structure
2D structure of Albofungin
CAS: 37895-35-5
CID: 20054819
Formula: C27H24N2O9
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass520.14818035
Monoisotopic Mass520.14818035
Topological Polar Surface Area161 Ų
Heavy Atom Count38
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
329837Albofungin

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