Methyl geldanamycinate; 17-Demethoxy, 17-amino
AlkaPlorer ID: AK305791
Synonym: Methyl 17-amino-17-demethoxygeldanamycinate
IUPAC Name: methyl 7-carbamoyloxy-15-(2,5-diamino-3,6-dioxocyclohexa-1,4-dien-1-yl)-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate
Structure
SMILES: COC(=O)C(C)=CC=CC(OC)C(OC(N)=O)C(C)=CC(C)C(O)C(CC(C)CC1=C(N)C(=O)C=C(N)C1=O)OC
InChI: InChI=1S/C29H43N3O9/c1-15(11-19-24(31)21(33)14-20(30)26(19)35)12-23(39-6)25(34)17(3)13-18(4)27(41-29(32)37)22(38-5)10-8-9-16(2)28(36)40-7/h8-10,13-15,17,22-23,25,27,34H,11-12,30-31H2,1-7H3,(H2,32,37)
InChIKey: RSEUDHKDKIAVEF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. M56 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 577.6750000000002
TPSA？: 203.49
MolLogP？: 1.7226000000000037
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|