7-demethyl A80915B
AlkaPlorer ID: AK322642
Synonym: None
IUPAC Name: (3R,4aR,10aS)-3,4a-dichloro-10a-[[(1R,3S)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-9-diazo-6-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,8,10-trione
Structure
SMILES: C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C=C1O
InChI: InChI=1S/C25H27Cl3N2O5/c1-11-6-7-15(26)22(2,3)12(11)9-25-21(34)18-17(13(31)8-14(32)19(18)30-29)20(33)24(25,28)10-16(27)23(4,5)35-25/h8,12,15-16,31H,1,6-7,9-10H2,2-5H3/t12-,15+,16-,24+,25+/m1/s1
InChIKey: HYDZZTKLIACTQZ-NLBVGZHFSA-N
Reference
Terpenoids Produced by Actinomycetes: Napyradiomycins from <i>Streptomyces antimycoticus</i> NT17
PubChem CID: 135899068
LOTUS: LTS0128828
NPASS: NPC477996
{NPAtlas: NPA008368
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces antimycoticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 541.8590000000003
TPSA？: 117.07
MolLogP？: 4.642800000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 3700.0 | nM | 10.1021/np070575a |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 14800.0 | nM | 10.1021/np070575a |
| Enterococcus faecium | Enterococcus faecium | MIC | 14800.0 | nM | 10.1021/np070575a |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 3700.0 | nM | 10.1021/np070575a |