17-O-demethylgeldanamycin hydroquinone
AlkaPlorer ID: AK009227
Synonym: None
IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,19,20,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
Structure
SMILES: CO[C@H]1/C=C\C=C(/C)C(O)=NC2=C(O)C(=C(O)C(O)=C2)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(=N)O
InChI: InChI=1S/C28H40N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,31-34H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,23-,26+/m1/s1
InChIKey: SSTZKOMSVQUZSD-LVBRMASUSA-N
Reference
Geldanamycin derivatives and neuroprotective effect on cultured P19-derived neurons
PubChem CID: 44440189
LOTUS: LTS0252887
{NPAtlas: NPA008083
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 548.6330000000004
TPSA？: 185.28
MolLogP？: 4.327470000000002
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus | Staphylococcus | Inhibition | nan | % | 10.1021/acs.jnatprod.2c01151 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.2c01151 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | nan | % | 10.1021/acs.jnatprod.2c01151 |
| None | Molecular identity unknown | Activity | 43.0 | % | 10.1016/j.bmcl.2006.12.041 |