Geldanamycin; 19-(2-Aminoacetyloxy), 4,5-dihydro, decarbamoyl
AlkaPlorer ID: AK299106
Synonym: Decarbamoyl-19-glycyloxy-4,5-dihydrogeldanamycin, CT-1-1
IUPAC Name: (9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-21-yl) 2-aminoacetate
Structure
SMILES: COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(O)C(OC)CCC=C(C)C(=O)NC(=C(OC(=O)CN)C1=O)C2=O
InChI: InChI=1S/C30H44N2O10/c1-15-11-19-26(36)23(29(42-22(33)14-31)27(37)28(19)41-7)32-30(38)16(2)9-8-10-20(39-5)24(34)17(3)13-18(4)25(35)21(12-15)40-6/h9,13,15,18,20-21,24-25,34-35H,8,10-12,14,31H2,1-7H3,(H,32,38)
InChIKey: VBHLSJAAFIOUFO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 592.6860000000001
TPSA？: 183.71
MolLogP？: 1.359000000000002
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|