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Kobusin

CAT: 0931-TN1834-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1834-01Size:50 mg
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CAS Number
36150-23-9
Target
Chloride channel, CFTR
Related Pathways
Membrane transporter/Ion channel
Purity
0.9979
Bioactivity
Kobusin, a bisepoxylignan compound isolated from Pnonobio biondii Pamp, demonstrates CFTR and CaCC chloride channel activation properties while exhibiting inhibitory effects on ANO1/CaCC channels.
Smiles
O(C)C=1C=C([C@@H]2[C@@]3([C@@]([C@H](OC3)C=4C=C5C(=CC4)OCO5)(CO2)[H])[H])C=CC1OC
Molecular Formula
C21H22O6
Molecular Weight
370.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-Kobusin

Demethoxyaschantin is a member of the class of furofurans that is tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole carrying an additional 3,4-dimethoxyphenyl substituent at position 4. It has a role as a plant metabolite. It is a lignan, a member of benzodioxoles, a furofuran and a dimethoxybenzene.

CAS Number36150-23-9
PubChem CID182278
IUPAC Name5-[(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Molecular FormulaC21H22O6
Molecular Weight370.4
XLogP2.8
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity515
SMILES
COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)OC
InChI
InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1
InChIKey
AWOGQCSIVCQXBT-VUEDXXQZSA-N
Chemical Structure
2D Structure
2D structure of (+)-Kobusin
CAS: 36150-23-9
CID: 182278
Formula: C21H22O6
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass370.14163842
Monoisotopic Mass370.14163842
Topological Polar Surface Area55.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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