Compound ID | 990

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Hedamycin

Class: Natural product antibiotic

Agent Type: Natural product; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: DNA synthesis inhibitor. DNA alkylating
Target Pathogen: Weak activity against Gram-positive bacteria
Description: Pluramycin-type; Schmitz, H., K. E. Crook Jr, and J. A. Bush. "Hedamycin, a new antitumor antibiotic. I. Production, isolation, and characterization." Antimicrobial agents and chemotherapy 6 (1966): 606.
Institute where first reported: Bristol-Myers Squibb
Year first mentioned: 1966
Development status: Experimental
Chemical structure(s):
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Molecular weight: 746.84
Iso. SMILES: CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O
InChI Key: RZOFHOWMWMTHDX-UHFFFAOYSA-N
Can. SMILES: CC1=C2C(=O)C=C(C3(C)C(C4C(C)O4)O3)OC2=C5C(=C1)C(=O)C6=C(C=C(C7CC(C)(C(C(C)O7)O)N(C)C)C(=C6C5=O)O)C8CC(C(C(C)O8)O)N(C)C
InChI: InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/98033
Guide to Pharmacology: hedamycin
Citation: https://doi.org/10.1016/1074-5521(95)90273-2

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