Details of the Drug

General Information of Drug (ID: DMLBFC0)

• Drug Name: Q-44287045
• Synonyms: Macrolactin A; Macrolactin-A; (-)-Macrolactin A; (3Z,5E,8R,9E,11Z,14S,16S,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one; 122540-27-6; Oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, 8,14,16-trihydroxy-24-methyl-, (3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 402.5
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H34O5
  IUPAC Name: (3Z,5E,8R,9E,11Z,14S,16S,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
  Canonical SMILES: CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)O)O)O
  InChI: XXDIJWSZFWZBRM-QCEWEWFLSA-N
  InChIKey: 1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-/t20-,21+,22-,23+/m1/s1
• Cross-matching ID:
  PubChem CID: 6451096
  CAS Number: 122540-27-6
  INTEDE ID: DR2664

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.