Details of the Drug

General Information of Drug (ID: DMZHT39)

• Drug Name: Macrolactin A
• Synonyms: 7-O-succinyl macrolactin A; 7-O-Succinyl Macrolactin F; CHEMBL528105; CHEMBL485779
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 502.6
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C28H38O8
  IUPAC Name: 4-[[(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
  Canonical SMILES: CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)OC(=O)CCC(=O)O)O)O
  InChI: QPJULYYJHQTWML-GIDLKBJSSA-N
  InChIKey: 1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t22-,23+,24+,25-/m1/s1
• Cross-matching ID:
  PubChem CID: 10601542
  INTEDE ID: DR2674

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Glycosyltransferase (Gtf) Main DME	DEHD2Q8	A0A2S0LQ16_9ACTO	Substrate	[1]

References

• [1] A bacterial glycosyltransferase gene toolbox: generation and applications. Phytochemistry. 2009 Oct-Nov;70(15-16):1812-21.