Methyl geldanamycinate
AlkaPlorer ID: AK305790
Synonym: None
IUPAC Name: methyl 15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-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(OC)C(=O)C=C(N)C1=O)OC
InChI: InChI=1S/C30H44N2O10/c1-16(12-20-26(35)21(31)15-22(33)28(20)40-7)13-24(39-6)25(34)18(3)14-19(4)27(42-30(32)37)23(38-5)11-9-10-17(2)29(36)41-8/h9-11,14-16,18,23-25,27,34H,12-13,31H2,1-8H3,(H2,32,37)
InChIKey: HRKSVRIGRTWRMY-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: 592.6860000000001
TPSA？: 186.7
MolLogP？: 2.410300000000002
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|