Antibiotic A 80915B; 7-Demethyl
AlkaPlorer ID: AK288229
Synonym: 7-Demethyl A 80915B
IUPAC Name: 3,4a-dichloro-10a-[(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=C1CCC(Cl)C(C)(C)C1CC12OC(C)(C)C(Cl)CC1(Cl)C(=O)C1=C(O)C=C([O-])C([N+]#N)=C1C2=O
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/h8,12,15-16H,1,6-7,9-10H2,2-5H3,(H-,31,32,33)
InChIKey: NJRFCFOZOBVMDL-UHFFFAOYSA-N
Reference
CAS: 1012860-19-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces antimycoticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 541.8590000000002
TPSA？: 114.81
MolLogP？: 5.841980000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|