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Mulberrofuran A

CAT: 0804-HY-125122-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125122-01Size:1 mg
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Description
Mulberrofuran A is a natural product, that can be isolated from the root bark of mulberry tree. Mulberrofuran A inhibits the formations of 12-hydroxy-,8,10-heptadecatrienoic acid (HHT) and thromboxane B2 (cyclooxygenase products), but it increases the formation of 12-hydroxy-5,8,10,14-eicosatetraenoic acid (12-HETE) (12-lipoxygenase product) [1].
CAS Number
68978-04-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/mulberrofuran-a.html
Solubility
10 mM in DMSO
Smiles
OC1=CC=C2C=C(C3=CC(O)=CC(OC)=C3C/C=C(C)/CC/C=C(C)\C)OC2=C1
Molecular Formula
C25H28O4
Molecular Weight
392.49
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Kimura Y, et al. Effects of flavonoids and related compounds from mulberry tree on arachidonate metabolism in rat platelet homogenates. Chem Pharm Bull (Tokyo) . 1986 Mar;34 (3) :1223-7.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-(2-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5-hydroxy-3-methoxyphenyl)-6-benzofuranol

Mulberrofuran A is a member of 1-benzofurans.

CAS Number68978-04-1
PubChem CID5281332
IUPAC Name2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol
Molecular FormulaC25H28O4
Molecular Weight392.5
XLogP7
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity579
SMILES
CC(=CCC/C(=C/CC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)/C)C
InChI
InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+
InChIKey
MQYYTNPXQXSQGM-CAOOACKPSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5-hydroxy-3-methoxyphenyl)-6-benzofuranol
CAS: 68978-04-1
CID: 5281332
Formula: C25H28O4
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass392.19875937
Monoisotopic Mass392.19875937
Topological Polar Surface Area62.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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