Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2664)
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)-
Indication Colon cancer [ICD11: 2B90] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 402.5 Topological Polar Surface Area 87
Heavy Atom Count 29 Rotatable Bond Count 0
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
6451096
CAS Number
122540-27-6
Formula
C24H34O5
Canonical SMILES
CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)O)O)O
InChI
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
InChIKey
XXDIJWSZFWZBRM-QCEWEWFLSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006988 Q-44287045 Unclear Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Glycosyltransferase (Gtf) DME1775 Actinomyces howellii
A0A2S0LQ16_9ACTO
2.4.1.155
[2]
References
1 Pharmacokinetics of macrolactin A and 7-O-succinyl macrolactin A in mice. Xenobiotica. 2014 Jun;44(6):547-54.
2 A bacterial glycosyltransferase gene toolbox: generation and applications. Phytochemistry. 2009 Oct-Nov;70(15-16):1812-21.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.