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Xanthoquinodin A1

CAT: 0804-HY-N8252Size: 1 EachDry Ice: NoHazardous: No
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Description
Xanthoquinodin A1 is an anticoccidial antibiotic having a new xanthone-anthraquinone conjugate system[1].
CAS Number
151063-27-3
UNSPSC
12352005
Target
Antibiotic
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/xanthoquinodin-a1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(C)=CC(O)=C21)[C@@]3(CC4=CC(O[C@]5([C@H](CC6)O)C(OC)=O)=C(C(C5=C6O)=O)C(O)=C4[C@@H]7C=C3)C(C2=O)=C7O
Molecular Formula
C31H24O11
Molecular Weight
572.52
References & Citations
[1]KeiichiMatsuzaki, et al. The structure of xanthoquinodin A1, a novel anticoccidial antibiotic having a new xanthone-anthraquinone conjugate system.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Xanthoquinodin A1
CAS Number151063-27-3
PubChem CID21676964
IUPAC Namemethyl (1R,7R,8S,17S)-8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate
Molecular FormulaC31H24O11
Molecular Weight572.5
XLogP3
Topological Polar Surface Area188
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Heavy Atom Count42
Formal Charge0
Complexity1390
SMILES
CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@H]4C=C[C@]3(C2=O)CC5=CC6=C(C(=C45)O)C(=C7C(=O)CC[C@@H]([C@@]7(O6)C(=O)OC)O)O)O
InChI
InChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,33-34,36-38H,3-4,10H2,1-2H3/t13-,18-,30-,31-/m0/s1
InChIKey
XCWGCTNGDUDAMO-SLAVHBLRSA-N
Chemical Structure
2D Structure
2D structure of Xanthoquinodin A1
CAS: 151063-27-3
CID: 21676964
Formula: C31H24O11
MW: 572.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.5
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass572.13186158
Monoisotopic Mass572.13186158
Topological Polar Surface Area188 Ų
Heavy Atom Count42
Formal Charge0
Complexity1390
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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Alternative Products

CatalogName
BGA06327-01Xanthoquinodin A1

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