19-(4-Hydroxy-1-methoxy-2-oxopentyl)geldanamycin
AlkaPlorer ID: AK301372
Synonym: None
IUPAC Name: [13-hydroxy-21-(4-hydroxy-1-methoxy-2-oxopentyl)-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
Structure
SMILES: COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(=N)O)C(OC)C=CC=C(C)C(=O)NC(=C(C(OC)C(=O)CC(C)O)C1=O)C2=O
InChI: InChI=1S/C35H50N2O12/c1-17-13-22-29(41)27(26(30(42)32(22)47-8)33(48-9)23(39)16-21(5)38)37-34(43)18(2)11-10-12-24(45-6)31(49-35(36)44)20(4)15-19(3)28(40)25(14-17)46-7/h10-12,15,17,19,21,24-25,28,31,33,38,40H,13-14,16H2,1-9H3,(H2,36,44)(H,37,43)
InChIKey: NFXTZLQCVNTSMH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces sp. M56 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 690.7870000000001
TPSA？: 211.0
MolLogP？: 2.5476700000000023
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|