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Deacetylravidomycin N-oxide

CAT: 0931-TN10269-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10269-01Size:10 mg
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CAS Number
114494-30-3
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Deacetylravidomycin N-oxide is an antibiotic produced by [Streptomyces ravidus S50905] that exhibits activity against Gram-positive bacteria but is inactive against Gram-negative bacteria. Additionally, Deacetylravidomycin N-oxide demonstrates antitumor properties against P388 leukemia and methylcholanthrene A fibrosarcoma.
Smiles
O(C)C1=C2C(=C3C(C=4C(C(=O)O3)=CC(C=C)=CC4OC)=C1)C(=CC=C2O)[C@H]5[C@H](O)[C@@H](N(C)(C)=O)[C@@H](OC(C)=O)[C@@H](C)O5
Molecular Formula
C31H33NO10
Molecular Weight
579.594
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

deacetylravidomycin N-oxide

Ravidomycin N-oxide has been reported in Streptomyces ravidus with data available.

CAS Number114494-30-3
PubChem CID133983
IUPAC Name(2S,3R,4R,5R,6R)-5-acetyloxy-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
Molecular FormulaC31H33NO10
Molecular Weight579.6
XLogP4
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1020
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)[N+](C)(C)[O-])OC(=O)C
InChI
InChI=1S/C31H33NO10/c1-8-16-11-19-23(21(12-16)38-6)18-13-22(39-7)25-20(34)10-9-17(24(25)29(18)42-31(19)36)30-27(35)26(32(4,5)37)28(14(2)40-30)41-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30+/m1/s1
InChIKey
JDRNEUMZVBWRJJ-LSXWJJIVSA-N
Chemical Structure
2D Structure
2D structure of deacetylravidomycin N-oxide
CAS: 114494-30-3
CID: 133983
Formula: C31H33NO10
MW: 579.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight579.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass579.21044625
Monoisotopic Mass579.21044625
Topological Polar Surface Area139 Ų
Heavy Atom Count42
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes