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(+) -Acuminatin

CAT: 0931-TN3348Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3348Size:5 mg
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CAS Number
41744-39-2
Target
PAFR
Related Pathways
GPCR/G Protein
Bioactivity
(+) -Acuminatin exerts hepatoprotective activities, perhaps by serving as a potent antioxidant. (+) -trans-Acuminatin, and (+) -cis-acuminatin show weak activity against platelet aggregation with IC50 values of 108.5 and 90.02 uM, respectively. (+) -Acuminatin, and machilin G show dose-dependent potent inhibitory activities against PLCgamma1 in vitro with IC50 values ranging from 8.8 to 26.0 microM, the inhibition of PLCgamma1 may be an important mechanism for an antiproliferative effect on the human cancer cells, therefore, these inhibitors may be utilized as cancer chemotherapeutic and chemopreventive agents.
Smiles
COc1cc(\C=C\C)cc2[C@@H](C)[C@@H](Oc12)c1ccc(OC)c(OC)c1
Molecular Formula
C21H24O4
Molecular Weight
340.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-Acuminatin

Acuminatin is a neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively. It has a role as a plant metabolite and a fungal metabolite. It is a neolignan, a ring assembly, a member of 1-benzofurans, a dimethoxybenzene and an olefinic compound.

CAS Number41744-39-2
PubChem CID6441048
IUPAC Name(2R,3R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
Molecular FormulaC21H24O4
Molecular Weight340.4
XLogP4.7
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity451
SMILES
C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H24O4/c1-6-7-14-10-16-13(2)20(25-21(16)19(11-14)24-5)15-8-9-17(22-3)18(12-15)23-4/h6-13,20H,1-5H3/b7-6+/t13-,20-/m1/s1
InChIKey
ITFKWUHXYCXXFF-XSOBDOKWSA-N
Chemical Structure
2D Structure
2D structure of (+)-Acuminatin
CAS: 41744-39-2
CID: 6441048
Formula: C21H24O4
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass340.16745924
Monoisotopic Mass340.16745924
Topological Polar Surface Area36.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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