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

General Information of Drug (ID: DR2420)
Drug Name
Secoisolariciresinol
Synonyms
RR-secoisolariciresinol; Secoisolariciresinol; (+/-)-Secoisolariciresinol; (-) secoisolariciresinol; (-)-Secoisolariciresinol; (2R,3R)-2,3-bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diol; (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol; (R-(R*,R*))-2,3-Bis((4-hydroxy-3-methoxyphenyl)methyl)butane-1,4-diol; 29388-59-8; 8R,8'R-secoisolariciresinol; BIDF1039; M8QRJ7JEJH; CCRIS 7790; CHEBI:65004; CHEMBL368347; CTK4C5737; DTXSID50183615; EINECS 249-599-2; MLS001424213; SCHEMBL12427083; UNII-M8QRJ7JEJH
Indication Diabetes mellitus [ICD11: 5A10] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 362.4 Topological Polar Surface Area 99.4
Heavy Atom Count 26 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
65373
ChEBI ID
CHEBI:65004
CAS Number
29388-59-8
Formula
C20H26O6
Canonical SMILES
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O
InChI
1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKey
PUETUDUXMCLALY-HOTGVXAUSA-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
Enterodiol DM005921
115089
Unclear 1 [2]
Enterolactone DM005922
10685477
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006368 Secoisolariciresinol Enterodiol Unclear Unclear [2]
MR006369 Secoisolariciresinol Enterolactone Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1665 Bifidobacterium bifidum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1666 Bifidobacterium catenulatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1667 Bifidobacterium pseudocatenulatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1669 Lactobacillus gasseri Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1670 Lactobacillus salivarius Not Available Not Available [2]
References
1 Secoisolariciresinol diglucoside of flaxseed and its metabolites: biosynthesis and potential for nutraceuticals. Front Genet. 2018 Dec 12;9:641.
2 Influence of different lignan compounds on enterolignan production by Bifidobacterium and Lactobacillus strains. Int J Food Microbiol. 2019 Jan 16;289:17-23.

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