Compound Summary
Ikarugamycin
Compound Information
Ikarugamycin
Compound Name: | Ikarugamycin |
Compound CID: | 54680304 |
Synonyms: | Ikarugamycin 36531-78-9 CHEMBL4283254 CHEBI:75276 DTXSID501017235 More... |
Iupac Name: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione |
InChI: | InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1 |
InChIKey: | GHXZHWYUSAWISC-KZRBWAKNSA-N |
Canonical Smiles: | CCC1C(CC2C1C=CC3C2CC4C3CC=CC(=O)NCCCC5C(=O)C(=C(C=C4)O)C(=O)N5)C |
Isomeric Smiles: | CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C=C\C(=O)NCCC[C@H]5C(=O)/C(=C(\C=C4)/O)/C(=O)N5)C |
Molecular Weight: | 478.6 |
Molecular Formula: | C29H38N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Ikarugamycin
Molecular Weight: | 478.6 |
Molecular Formula: | C29H38N2O4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 35 |
Complexity: | 1010 |
Synonyms
Ikarugamycin
| Ikarugamycin | Ikarugamycin |
|---|---|
Ikarugamycin |
36531-78-9 |
CHEMBL4283254 |
CHEBI:75276 |
DTXSID501017235 |
MFCD01722005 |
NSC789948 |
AKOS030213232 |
NSC-789948 |
TU-6239 C3 |
HY-119764 |
CS-0077951 |
14,17-Metheno-17H-as-indaceno3,2-k1,6diazacycloheptadecine-9,16,18(1H)-trione |
(2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-3-ethyl-22-hydroxy-2-methyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-1H-14,17-(metheno)-as-indaceno3,2-k1,6diazacycloheptadecine-9,16,18(17H)-trione |
3-Ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)- |
IKA |
Experimental Data
Ikarugamycin
| 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 | 5.000000000000000 | umol/L | 18.800000000000000 | 23.000000000000000 | 22.300000000000000 | S | N2 | 29273768 | Active | ||||
| Caenorhabditis elegans | 5.000000000000000 | umol/L | 18.500000000000000 | 21.800000000000000 | 22.200000000000000 | S | N2 | 29273768 | Active |
Experimental Data Visualization
Ikarugamycin
Statistics Data
Ikarugamycin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 22.300000000000000 | 1 | 2 |
Statistics Data Visualization
Ikarugamycin
