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Kadsurenin L

CAT: 0931-T70549-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70549-01Size:25 mg
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CAS Number
149438-61-9
Target
Others
Related Pathways
Others
Bioactivity
Kadsurenin L is a neolignan originally isolated from Piper kadsura. It has a role as a platelet-activating factor receptor antagonist and a plant metabolite.
Smiles
O(C)[C@]12[C@@H](OC(C)=O)[C@]([C@@H]([C@H]1C)C3=CC(OC)=C(OC)C=C3)(C(=O)C(CC=C)=C2)[H]
Molecular Formula
C23H28O6
Molecular Weight
400.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1S,5R,6R,7R,8S)-8-(Acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)bicyclo(3.2.1)oct-3-en-2-one

Kadsurenin L is a neolignan with formula C23H28O6, originally isolated from Piper kadsura. It has a role as a platelet-activating factor receptor antagonist and a plant metabolite. It is a neolignan, a bridged compound, a carbobicyclic compound, a cyclic ketone, an acetate ester, a dimethoxybenzene and an enone.

CAS Number149438-61-9
PubChem CID3083437
IUPAC Name[(1R,5S,6R,7R,8S)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
Molecular FormulaC23H28O6
Molecular Weight400.5
XLogP3.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity685
SMILES
C[C@@H]1[C@H]([C@H]2[C@@H]([C@@]1(C=C(C2=O)CC=C)OC)OC(=O)C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C23H28O6/c1-7-8-16-12-23(28-6)13(2)19(20(21(16)25)22(23)29-14(3)24)15-9-10-17(26-4)18(11-15)27-5/h7,9-13,19-20,22H,1,8H2,2-6H3/t13-,19+,20-,22+,23+/m1/s1
InChIKey
TVDQUJSTRADHSU-WWDCKHPPSA-N
Chemical Structure
2D Structure
2D structure of (1S,5R,6R,7R,8S)-8-(Acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)bicyclo(3.2.1)oct-3-en-2-one
CAS: 149438-61-9
CID: 3083437
Formula: C23H28O6
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass400.18858861
Monoisotopic Mass400.18858861
Topological Polar Surface Area71.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5762636Kadsurenin D
TBZ0524Kadsurenin L
TBZ1517Kadsurenin F
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