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Concanamycin F

CAT: 0931-TN10396-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10396-01Size:10 mg
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CAS Number
144539-92-4
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Concanamycin F exhibits antifungal, antiviral, immunosuppressive, and cytotoxic activities and is a specific inhibitor of V-type ATPase with a Ki of 0.02 nM.
Smiles
CC[C@H]1[C@H]([C@@H](CC(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O)O)O)OC)C)C)O
Molecular Formula
C39H64O10
Molecular Weight
692.919
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Concanamycin F

concanamycin F has been reported in Streptomyces with data available.

CAS Number144539-92-4
PubChem CID6450148
IUPAC Name(3E,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-hydroxypentan-2-yl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
Molecular FormulaC39H64O10
Molecular Weight692.9
XLogP6.1
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count49
Formal Charge0
Complexity1210
SMILES
CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C\C(=C\[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O)O)O)OC)/C)C)O
InChI
InChI=1S/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20+/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1
InChIKey
YNZXLMPHTZVKJN-STTJUCNZSA-N
Chemical Structure
2D Structure
2D structure of Concanamycin F
CAS: 144539-92-4
CID: 6450148
Formula: C39H64O10
MW: 692.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight692.9
XLogP36.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass692.44994823
Monoisotopic Mass692.44994823
Topological Polar Surface Area155 Ų
Heavy Atom Count49
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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