Compound Summary
Brefeldin A from Penicillium brefeldianum
Compound Information
Brefeldin A from Penicillium brefeldianum
Compound Name: | Brefeldin A from Penicillium brefeldianum |
Compound CID: | 11957469 |
Synonyms: | Brefeldin A from Penicillium brefeldianum BFA; Ascotoxin, Cyanein Lopac0_000164 CHEMBL1559663 HMS3260B09 More... |
Iupac Name: | (1S,3E,7S,11E,15S)-1,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one |
InChI: | InChI=1S/C16H24O4/c1-12-6-3-2-4-7-13-10-14(17)11-16(13,19)9-5-8-15(18)20-12/h4-5,7-8,12-14,17,19H,2-3,6,9-11H2,1H3/b7-4+,8-5+/t12-,13?,14-,16-/m0/s1 |
InChIKey: | YARPKTMEHCQHGA-JPXKWFFHSA-N |
Canonical Smiles: | CC1CCCC=CC2CC(CC2(CC=CC(=O)O1)O)O |
Isomeric Smiles: | C[C@H]1CCC/C=C/C2C[C@@H](C[C@]2(C/C=C/C(=O)O1)O)O |
Molecular Weight: | 280.36 |
Molecular Formula: | C16H24O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Brefeldin A from Penicillium brefeldianum
Molecular Weight: | 280.36 |
Molecular Formula: | C16H24O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 20 |
Complexity: | 401 |
Synonyms
Brefeldin A from Penicillium brefeldianum
| Brefeldin A from Penicillium brefeldianum | Brefeldin A from Penicillium brefeldianum |
|---|---|
Brefeldin A from Penicillium brefeldianum |
BFA; Ascotoxin, Cyanein |
Lopac0_000164 |
CHEMBL1559663 |
HMS3260B09 |
Tox21_500164 |
CCG-204259 |
LP00164 |
SDCCGSBI-0050152.P002 |
SMP1_000048 |
NCGC00093648-01 |
NCGC00093648-02 |
NCGC00093648-03 |
NCGC00093648-04 |
NCGC00093648-05 |
NCGC00260849-01 |
EU-0100164 |
B 7651 |
SR-01000075732 |
SR-01000075732-1 |
Experimental Data
Brefeldin A from Penicillium brefeldianum
| 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 | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Brefeldin A from Penicillium brefeldianum
Statistics Data
Brefeldin A from Penicillium brefeldianum
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
Brefeldin A from Penicillium brefeldianum
