Compound Summary
Compound Information
Beauvericin
Compound Name: | Beauvericin |
Compound CID: | 3007984 |
Synonyms: | Beauvericin 26048-05-5 CHEBI:3000 26S048LS2R (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone More... |
Iupac Name: | (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone |
InChI: | InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1 |
InChIKey: | GYSCAQFHASJXRS-FFCOJMSVSA-N |
Canonical Smiles: | CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C |
Isomeric Smiles: | CC(C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C |
Molecular Weight: | 783.9 |
Molecular Formula: | C45H57N3O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Beauvericin
Molecular Weight: | 783.9 |
Molecular Formula: | C45H57N3O9 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 57 |
Complexity: | 1200 |
Synonyms
Beauvericin
| Beauvericin | Beauvericin |
|---|---|
Beauvericin |
26048-05-5 |
CHEBI:3000 |
26S048LS2R |
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone |
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexaone |
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone |
UNII-26S048LS2R |
SCHEMBL29355 |
CHEMBL249052 |
DTXSID00891834 |
HY-N6739 |
MFCD30541349 |
ZINC87496145 |
CS-W020817 |
NCGC00380798-01 |
Cyclo(-D-alpha-hydroxyisovaleryl-N-Me-Phe)3 |
Experimental Data
Beauvericin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | -3.2 | S | N2 | 33002525 | Inactive | ||||||
| Caenorhabditis elegans | 50 | umol/L | -10.8 | S | N2 | 33002525 | Inactive | ||||||
| Caenorhabditis elegans | 100 | umol/L | -14 | S | N2 | 33002525 | Inactive |
Experimental Data Visualization
Beauvericin
Statistics Data
Beauvericin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3.2 | 1 | 3 |
Statistics Data Visualization
Beauvericin
