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Eleutherin, (-) -

CAT: 0931-T69706-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69706-02Size:50 mg
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CAS Number
22768-95-2
Target
Others, Topoisomerase
Related Pathways
Others, DNA Damage/DNA Repair
Bioactivity
Eleutherin, (-) -, is a pyranonaphthoquinone derivative that inhibits DNA topoisomerase II.
Smiles
O=C1C=2C(C(=O)C3=C1[C@H](C)O[C@H](C)C3)=CC=CC2OC
Molecular Formula
C16H16O4
Molecular Weight
272.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Eleutherin, (-)-
CAS Number22768-95-2
PubChem CID12310962
IUPAC Name(1S,3R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Molecular FormulaC16H16O4
Molecular Weight272.29
XLogP2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity479
SMILES
C[C@@H]1CC2=C([C@@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC
InChI
InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m1/s1
InChIKey
IAJIIJBMBCZPSW-BDAKNGLRSA-N
Chemical Structure
2D Structure
2D structure of Eleutherin, (-)-
CAS: 22768-95-2
CID: 12310962
Formula: C16H16O4
MW: 272.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.29
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass272.10485899
Monoisotopic Mass272.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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