Compound Summary
Compound Information
geldanamycin
Compound Name: | geldanamycin |
Compound CID: | 5288382 |
Synonyms: | geldanamycin 30562-34-6 UNII-Z3K3VJ16KU CHEBI:5292 Z3K3VJ16KU More... |
Iupac Name: | [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate |
InChI: | InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1 |
InChIKey: | QTQAWLPCGQOSGP-KSRBKZBZSA-N |
Canonical Smiles: | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC |
Isomeric Smiles: | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC |
Molecular Weight: | 560.6 |
Molecular Formula: | C29H40N2O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
geldanamycin
Molecular Weight: | 560.6 |
Molecular Formula: | C29H40N2O9 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 40 |
Complexity: | 1150 |
Synonyms
geldanamycin
| geldanamycin | geldanamycin |
|---|---|
geldanamycin |
30562-34-6 |
UNII-Z3K3VJ16KU |
CHEBI:5292 |
Z3K3VJ16KU |
U-29135 |
MFCD00274570 |
NSC-122750 |
(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo16.3.1docosa-1(21),8,12,14,18-pentaen-10-yl carbamate |
GDM |
NSC 122750 |
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo16.3.1docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
Geldanamycin, Streptomyces hygroscopicus |
1yet |
8S-(4E,6Z,8R*,9R*,10E,12R*,13S*,14R*,16S*)-9-(Aminocarbonyl)oxy-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo16.3.1docosa-4,6,10,18,21-pentaene-3,20,22-trione |
Geldanamycin (9CI) |
BRN 1633093 |
SCHEMBL4154 |
U 29135 |
BSPBio_001073 |
GTPL9829 |
DTXSID7042691 |
Geldanamycin Ready Made Solution |
SCHEMBL13037476 |
CHEBI:91381 |
HMS1362E15 |
HMS1792E15 |
HMS1990E15 |
HMS3403E15 |
BDBM50008059 |
EI-280 |
AKOS024456552 |
ZINC100064834 |
CCG-208040 |
DB02424 |
IDI1_002122 |
NCGC00163449-01 |
NCGC00163449-02 |
2-Azabicyclo16.3.1docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, 9-carbamate (8CI) |
Geldanamycin from Streptomyces hygroscopicus |
G0334 |
SR-05000002266 |
J-018017 |
J-521410 |
SR-05000002266-3 |
BRD-K11528507-001-01-8 |
Geldanamycin, Streptomyces hygroscopicus - CAS 30562-34-6 |
Geldanamycin from Streptomyces hygroscopicus, >=98% (HPLC), powder |
(3S,5S,6R,7S,8E,10R,11S,12Z,14E)-6-Hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo16.3.1docosa-8,12,14,18,21-pentaen-10-yl carbamate |
2-azabicyclo16.3.1docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-(aminocarbonyl)oxy-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, (4E,6Z,8S,9S,10E,12S,13R,14S,16R)- |
2-Azabicyclo16.3.1docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-(aminocarbonyl)oxy-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, 8S-(4E,6Z,8R*,9R*,10E,12R*,13S*,14R*,16S*)- |
GMY |
Experimental Data
geldanamycin
| 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 | 20 | umol/L | 1.98 | NS | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 20 | umol/L | 23.14 | 23.7 | 1.98 | NS | N2 | 26676933 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 44.63 | 44.73 | 0.2171 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.75 | 17.9 | 0.8379 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.6 | 17.19 | 3.512 | S | N2 | 33008901 | Active | ||||
| Drosophila melanogaster | 200 | umol/L | 43.17 | 45.57 | 5.562 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
geldanamycin
Statistics Data
geldanamycin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.512 | 3 | 4 | |
| Drosophila melanogaster | 5.562 | 1 | 2 |
Statistics Data Visualization
geldanamycin
