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Louisianin B

CAT: 0931-TN10666-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10666-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1192169-18-8
Bioactivity
Louisianin B is a non-steroidal compound that inhibits the growth of testosterone-responsive SC 115 cells.
Smiles
O=C1NC=C(C2=C1CCC2O)CC=C
Molecular Formula
C11H13NO2
Molecular Weight
191.226
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Louisianin B

a non-steroidal growth inhibitor of testosterone-responsive SC 115 cells; isolated from Streptomyces sp. WK-4028; structure given in first source

CAS Number1192169-18-8
PubChem CID10535721
IUPAC Name5-hydroxy-4-prop-2-enyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
Molecular FormulaC11H13NO2
Molecular Weight191.23
XLogP-0.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity352
SMILES
C=CCC1=CNC(=O)C2=C1C(CC2)O
InChI
InChI=1S/C11H13NO2/c1-2-3-7-6-12-11(14)8-4-5-9(13)10(7)8/h2,6,9,13H,1,3-5H2,(H,12,14)
InChIKey
NZZUGPBVTIKHMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Louisianin B
CAS: 1192169-18-8
CID: 10535721
Formula: C11H13NO2
MW: 191.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.23
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass191.094628657
Monoisotopic Mass191.094628657
Topological Polar Surface Area49.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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