Molecule

11-O-demethyl-7-methoxypradimicinone II

AlkaPlorer ID: AK101889

Synonym: None

IUPAC Name: 2-[[(5S,6S)-1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

Structure

SMILES: COC1=C2C(=C(O)C3=C1C(=O)C1=C(O)C=C(O)C=C1C3=O)C1=C(O)C(C(O)=NC(C)C(=O)O)=C(C)C=C1[C@H](O)[C@H]2O

InChI: InChI=1S/C28H23NO12/c1-7-4-10-15(22(34)13(7)27(38)29-8(2)28(39)40)16-18(25(37)21(10)33)26(41-3)19-17(24(16)36)20(32)11-5-9(30)6-12(31)14(11)23(19)35/h4-6,8,21,25,30-31,33-34,36-37H,1-3H3,(H,29,38)(H,39,40)/t8?,21-,25-/m0/s1

InChIKey: LUUJABHWSNILKN-ZMZKXLKISA-N

Reference

Biosynthesis of the pradimicin family of antibiotics. II. Fermentation, isolation and structure determination of metabolites associated with the pradimicins biosynthesis.

PubChem CID: 441173

LOTUS: LTS0257948

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NPAtlas: NPA021272

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Actinomadura verrucosospora	Actinomadura	Thermomonosporaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 565.4870000000004

TPSA？: 234.64

MolLogP？: 2.1265200000000006

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi