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Lavendamycin

CAT: 0931-T25642-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25642-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81645-09-2
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Lavendamycin is a naturally occurring chemical isolated from fermentation broth of the soil bacterium Streptomyces lavendulae. It has antibiotic properties and significant anti-proliferative effects against several cancer cell lines.
Smiles
O=C(O)C1=NC(C=2N=C3C(=O)C(N)=CC(=O)C3=CC2)=C4NC=5C=CC=CC5C4=C1C
Molecular Formula
C22H14N4O4
Molecular Weight
398.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lavendamycin

Lavendamycin is a harmala alkaloid.

CAS Number81645-09-2
PubChem CID100585
IUPAC Name1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
Molecular FormulaC22H14N4O4
Molecular Weight398.4
XLogP2.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity798
SMILES
CC1=C2C3=CC=CC=C3NC2=C(N=C1C(=O)O)C4=NC5=C(C=C4)C(=O)C=C(C5=O)N
InChI
InChI=1S/C22H14N4O4/c1-9-16-10-4-2-3-5-13(10)24-20(16)19(26-17(9)22(29)30)14-7-6-11-15(27)8-12(23)21(28)18(11)25-14/h2-8,24H,23H2,1H3,(H,29,30)
InChIKey
IGQJRDIREIWBQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lavendamycin
CAS: 81645-09-2
CID: 100585
Formula: C22H14N4O4
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass398.10150494
Monoisotopic Mass398.10150494
Topological Polar Surface Area139 Ų
Heavy Atom Count30
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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