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Maceneolignan H

CAT: 0931-T75499-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75499-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314042-85-7
Target
Others, CCR
Related Pathways
GPCR/G Protein, Immunology/Inflammation, Microbiology/Virology, Others
Bioactivity
Maceneolignan H (Compound 8), a neolignane derived from the arils of Myristica fragrans, acts as a selective CCR3 antagonist with an EC 50 value of 1.4 μM. This compound shows promise for allergic disease research [1].
Smiles
O([C@H]([C@H](OC(C)=O)C1=CC(OC)=C(OC)C=C1)C)C2=C(OC)C=C(CC=C)C=C2OC
Molecular Formula
C24H30O7
Molecular Weight
430.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Maceneolignan H
CAS Number1314042-85-7
PubChem CID38347547
IUPAC Name[(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl] acetate
Molecular FormulaC24H30O7
Molecular Weight430.5
XLogP4.7
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity540
SMILES
C[C@@H]([C@@H](C1=CC(=C(C=C1)OC)OC)OC(=O)C)OC2=C(C=C(C=C2OC)CC=C)OC
InChI
InChI=1S/C24H30O7/c1-8-9-17-12-21(28-6)24(22(13-17)29-7)30-15(2)23(31-16(3)25)18-10-11-19(26-4)20(14-18)27-5/h8,10-15,23H,1,9H2,2-7H3/t15-,23-/m0/s1
InChIKey
SITDJJDXDVFCAP-WNSKOXEYSA-N
Chemical Structure
2D Structure
2D structure of Maceneolignan H
CAS: 1314042-85-7
CID: 38347547
Formula: C24H30O7
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass430.19915329
Monoisotopic Mass430.19915329
Topological Polar Surface Area72.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity540
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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