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Heraclenin

CAT: 0013-GTR19166572-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166572-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Heraclenin
CAS Number
2880-49-1
Product Name Alternative
Inhibit, Immunology & Inflammation related, Immunology related, Immunologyrelated, Immunology/Inflammation related, Inflammationrelated, Inflammation related, Inhibitor, Heraclenin, Antiinfection, Anti-infection, Antifection
Field of Research
Immunology & Inflammation, Infectious Disease & Virology
Purity
98.00% (May vary between batches)
Solubility
DMSO:25 mg/mL (87.33 mM)
Smiles
CC1 (C) O[C@@H]1COc1c2occc2cc2ccc (=O) oc12
Molecular Formula
C16H14O5
Molecular Weight
286.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Heraclenin

heraclenin has been reported in Halocnemum strobilaceum, Heracleum rapula, and other organisms with data available.

CAS Number2880-49-1
PubChem CID458010
IUPAC Name9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.2
Topological Polar Surface Area61.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity471
SMILES
CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1
InChIKey
CTJZWFCPUDPLME-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (+)-Heraclenin
CAS: 2880-49-1
CID: 458010
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area61.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity471
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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