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Pyridindolol K1

CAT: 0931-TN11003-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11003-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189756-49-8
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Pyridindolol K1 is an alkaloid antibiotic.
Smiles
[C@@H](COC(C)=O)(O)C1=C2C(C=3C(N2)=CC=CC3)=CC(COC(C)=O)=N1
Molecular Formula
C18H18N2O5
Molecular Weight
342.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyridindolol K1

Pyridindolol K1 is a harmala alkaloid.

CAS Number189756-49-8
PubChem CID15540622
IUPAC Name[1-[(1R)-2-acetyloxy-1-hydroxyethyl]-9H-pyrido[3,4-b]indol-3-yl]methyl acetate
Molecular FormulaC18H18N2O5
Molecular Weight342.3
XLogP1.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity500
SMILES
CC(=O)OCC1=CC2=C(C(=N1)[C@H](COC(=O)C)O)NC3=CC=CC=C32
InChI
InChI=1S/C18H18N2O5/c1-10(21)24-8-12-7-14-13-5-3-4-6-15(13)20-17(14)18(19-12)16(23)9-25-11(2)22/h3-7,16,20,23H,8-9H2,1-2H3/t16-/m0/s1
InChIKey
ULBLUJBIDCYVTD-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Pyridindolol K1
CAS: 189756-49-8
CID: 15540622
Formula: C18H18N2O5
MW: 342.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.3
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass342.12157168
Monoisotopic Mass342.12157168
Topological Polar Surface Area102 Ų
Heavy Atom Count25
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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