Chlorobiocin; 5-Demethyl
AlkaPlorer ID: AK292290
Synonym: Antibiotic 2562B
IUPAC Name: [6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 1H-pyrrole-2-carboxylate
Structure
SMILES: COC1C(OC(=O)C2=CC=CN2)C(O)C(OC2=CC=C3C(O)=C(NC(=O)C4=CC=C(O)C(CC=C(C)C)=C4)C(=O)OC3=C2Cl)OC1(C)C
InChI: InChI=1S/C34H35ClN2O11/c1-16(2)8-9-17-15-18(10-12-21(17)38)30(41)37-24-25(39)19-11-13-22(23(35)27(19)46-32(24)43)45-33-26(40)28(29(44-5)34(3,4)48-33)47-31(42)20-7-6-14-36-20/h6-8,10-15,26,28-29,33,36,38-40H,9H2,1-5H3,(H,37,41)
InChIKey: PKUNXGQLUGXWJB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseovariabilis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 683.1100000000002
TPSA？: 189.78
MolLogP？: 5.061900000000004
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|