Compound ID | 3080

Update compound information

Neopluramycin

Class: Natural product antibiotic

Agent Type: Natural product; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Antimycobacterial
Mechanism of action: DNA synthesis inhibitor
Target Pathogen: Active against Bacillus anthracis, Corynebacterium bovis, and Mycobacterium phlei
Description: Natural product from Streptomyces pluricolorescens; angucycline scaffold
Year first mentioned: 1970
Development status: Experimental
Chemical structure(s):
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Molecular weight: 730.84
Iso. SMILES: C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)N(C)C)[C@H]6C[C@]([C@@H]([C@@H](O6)C)OC(=O)C)(C)N(C)C)O
InChI Key: FGTVZROOHPSJNZ-IFYVSTMCSA-N
Can. SMILES: C/C=C(\C)/C1=CC(=O)C2=C(C)C=C3C(=C2O1)C(=O)C4=C(C(=CC(=C4C3=O)[C@H]5C[C@H]([C@@H]([C@@H](C)O5)O)N(C)C)[C@H]6C[C@@](C)([C@@H]([C@H](C)O6)OC(=O)C)N(C)C)O
InChI: InChI=1S/C41H50N2O10/c1-12-18(2)28-16-27(45)31-19(3)13-25-33(39(31)53-28)38(49)34-32(37(25)48)23(29-15-26(42(8)9)35(46)20(4)50-29)14-24(36(34)47)30-17-41(7,43(10)11)40(21(5)51-30)52-22(6)44/h12-14,16,20-21,26,29-30,35,40,46-47H,15,17H2,1-11H3/b18-12+/t20-,21+,26-,29-,30-,35-,40-,41+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/15594586
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/23/7/23_7_354/_article/-char/en

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