Compound Summary
(-)-Eseroline fumarate
Compound Information
(-)-Eseroline fumarate
Compound Name: | (-)-Eseroline fumarate |
Compound CID: | 11957551 |
Synonyms: | (-)-Eseroline fumarate (8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo2,3-bindol-7-ol;(Z)-but-2-enedioic acid SR-01000075315 EU-0100553 CHEMBL1590378 More... |
Iupac Name: | (8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol;(Z)-but-2-enedioic acid |
InChI: | InChI=1S/C13H18N2O.C4H4O4/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13;5-3(6)1-2-4(7)8/h4-5,8,12,16H,6-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12?,13-;/m0./s1 |
InChIKey: | PBZRRADJWNBPNY-NWMKAKDRSA-N |
Canonical Smiles: | CC12CCN(C1N(C3=C2C=C(C=C3)O)C)C.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C[C@@]12CCN(C1N(C3=C2C=C(C=C3)O)C)C.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 334.4 |
Molecular Formula: | C17H22N2O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(-)-Eseroline fumarate
Molecular Weight: | 334.4 |
Molecular Formula: | C17H22N2O5 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 24 |
Complexity: | 415 |
Synonyms
(-)-Eseroline fumarate
| (-)-Eseroline fumarate | (-)-Eseroline fumarate |
|---|---|
(-)-Eseroline fumarate |
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo2,3-bindol-7-ol;(Z)-but-2-enedioic acid |
SR-01000075315 |
EU-0100553 |
CHEMBL1590378 |
HMS3261P07 |
Tox21_500553 |
CCG-221857 |
LP00553 |
NCGC00093939-01 |
NCGC00261238-01 |
SR-01000075315-1 |
Experimental Data
(-)-Eseroline fumarate
| 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 | 33.000000000000000 | umol/L | 4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(-)-Eseroline fumarate
Statistics Data
(-)-Eseroline fumarate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.000000000000000 | 1 | 1 |
Statistics Data Visualization
(-)-Eseroline fumarate
