Compound Summary
Sesamolin
Compound Information
Sesamolin
Compound Name: | Sesamolin |
Compound CID: | 101746 |
Synonyms: | Sesamolin 526-07-8 (+)-sesamolin UNII-7A90TJ149G 7A90TJ149G More... |
Iupac Name: | 5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole |
InChI: | InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 |
InChIKey: | ZZMNWJVJUKMZJY-AFHBHXEDSA-N |
Canonical Smiles: | C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
Isomeric Smiles: | C1[C@H]2[C@H](CO[C@@H]2OC3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6 |
Molecular Weight: | 370.4 |
Molecular Formula: | C20H18O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Sesamolin
Molecular Weight: | 370.4 |
Molecular Formula: | C20H18O7 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 27 |
Complexity: | 544 |
Synonyms
Sesamolin
| Sesamolin | Sesamolin |
|---|---|
Sesamolin |
526-07-8 |
(+)-sesamolin |
UNII-7A90TJ149G |
7A90TJ149G |
5-(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro3,4-cfuran-6-yloxy-1,3-benzodioxole |
5-(((1R,3aR,4S,6aR)-4-(Benzod1,3dioxol-5-yl)hexahydrofuro3,4-cfuran-1-yl)oxy)benzod1,3dioxole |
AI3-20978 |
SCHEMBL163696 |
CHEMBL2059646 |
DTXSID90878472 |
CHEBI:175751 |
HY-N0809 |
ZINC6094187 |
MFCD04112844 |
AKOS030573689 |
AC-35092 |
AS-74827 |
CS-0009814 |
N2458 |
N2646 |
A1-06842 |
Q-100595 |
Q15720551 |
1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))- |
1,3-Benzodioxole,5-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo3,4-cfuran-1-yl-,(1S,3aR,4R,6aR)- |
5-(1S,3aR,4R,6aR)-4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro3,4-cfuran-1-yl-2H-1,3-benzodioxole |
5-(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro3,4-curan-6-yloxy-1,3-benzodioxole |
Experimental Data
Sesamolin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100.000000000000000 | ug/mL | 2.900000000000000 | NS | N2 | 33683565 | Inactive |
Experimental Data Visualization
Sesamolin
Statistics Data
Sesamolin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 2.900000000000000 | 1 | 1 |
Statistics Data Visualization
Sesamolin
