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Alnumycin

CAT: 0931-TN9017-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9017-02Size:50 mg
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CAS Number
207225-51-2
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Alnumycin is a naphthoquinone antibiotic with narrow-spectrum antibacterial activity against Gram-positive bacteria. It inhibits the growth of K562 human leukemia cells, with an IC50 of 0.53 μg/mL.
Smiles
OC=1C2=C(C=C3C1C(=O)C(=CC3=O)[C@H]4O[C@@H](CO)[C@H](O)CO4)C=C(C)OC2CCC
Molecular Formula
C22H24O8
Molecular Weight
416.421
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alnumycin

Alnumycin is a quinone.

CAS Number207225-51-2
PubChem CID52921376
IUPAC Name(1R)-10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione
Molecular FormulaC22H24O8
Molecular Weight416.4
XLogP2.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity758
SMILES
CCC[C@@H]1C2=C(C3=C(C=C2C=C(O1)C)C(=O)C=C(C3=O)[C@@H]4OC[C@H]([C@@H](O4)CO)O)O
InChI
InChI=1S/C22H24O8/c1-3-4-16-18-11(5-10(2)29-16)6-12-14(24)7-13(20(26)19(12)21(18)27)22-28-9-15(25)17(8-23)30-22/h5-7,15-17,22-23,25,27H,3-4,8-9H2,1-2H3/t15-,16-,17+,22-/m1/s1
InChIKey
DRXHQLTVRTWTGH-DBHNTLKXSA-N
Chemical Structure
2D Structure
2D structure of Alnumycin
CAS: 207225-51-2
CID: 52921376
Formula: C22H24O8
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass416.14711772
Monoisotopic Mass416.14711772
Topological Polar Surface Area123 Ų
Heavy Atom Count30
Formal Charge0
Complexity758
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

Alternative Products

CatalogName
GTR19248525-01Alnumycin

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