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Espicufolin

CAT: 0931-TN10049-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10049-02Size:50 mg
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CAS Number
182232-96-8
Bioactivity
Espicufolin is a neuroprotective compound found in Streptomyces sp:cu39. It inhibits glutamate toxicity, thereby reducing or overcoming ischemic brain injury, with an EC50 value of 40 nM for toxicity in N18-RE-105 cells. Espicufolin can be utilized in research on neurodegenerative diseases.
Smiles
O=C1C=2C3=C(C(CO)=CC2C(=O)C=4C1=C(O)C=CC4)C(=O)C=C([C@@H](CC)C)O3
Molecular Formula
C22H18O6
Molecular Weight
378.375
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Espicufolin

Espicufolin is a naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp. cu39, it exerts a potent protecting effect on neuronal cells through suppressing L-glutamate toxicity. It has a role as a metabolite and an antimicrobial agent. It is a member of benzyl alcohols, a member of p-quinones, a member of phenols and a naphthochromene.

CAS Number182232-96-8
PubChem CID11794029
IUPAC Name2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione
Molecular FormulaC22H18O6
Molecular Weight378.4
XLogP3.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity712
SMILES
CC[C@@H](C)C1=CC(=O)C2=C(O1)C3=C(C=C2CO)C(=O)C4=C(C3=O)C(=CC=C4)O
InChI
InChI=1S/C22H18O6/c1-3-10(2)16-8-15(25)17-11(9-23)7-13-19(22(17)28-16)21(27)18-12(20(13)26)5-4-6-14(18)24/h4-8,10,23-24H,3,9H2,1-2H3/t10-/m1/s1
InChIKey
HXAZTNIVBVVFJS-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Espicufolin
CAS: 182232-96-8
CID: 11794029
Formula: C22H18O6
MW: 378.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass378.11033829
Monoisotopic Mass378.11033829
Topological Polar Surface Area101 Ų
Heavy Atom Count28
Formal Charge0
Complexity712
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

Alternative Products

CatalogName
GTR19256295-01Espicufolin

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