U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28NO10
Molecular Weight 514.5012
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of JATRORRHIZINE O-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3CC[N+]4=C(C=C5C=CC(OC)=C(OC)C5=C4)C3=C1

InChI

InChIKey=OWLWOIDXUUAFMC-SNYRDRRFSA-O
InChI=1S/C26H27NO10/c1-33-17-5-4-12-8-16-14-10-18(34-2)19(9-13(14)6-7-27(16)11-15(12)23(17)35-3)36-26-22(30)20(28)21(29)24(37-26)25(31)32/h4-5,8-11,20-22,24,26,28-30H,6-7H2,1-3H3/p+1/t20-,21-,22+,24-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
JATRORRHIZINE O-GLUCURONIDE
Common Name English
JATRORRHIZINE-3-O-BETA-D-GLUCURONIDE
Common Name English
3-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-2,9,10-TRIMETHOXYDIBENZO(A,G)QUINOLIZINIUM
Systematic Name English
BERBERINE METABOLITE HM2
Common Name English
DIBENZO(A,G)QUINOLIZINIUM, 3-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-2,9,10-TRIMETHOXY-
Systematic Name English
Code System Code Type Description
CAS
1148005-23-5
Created by admin on Sat Dec 16 16:32:24 GMT 2023 , Edited by admin on Sat Dec 16 16:32:24 GMT 2023
PRIMARY
PUBCHEM
102280079
Created by admin on Sat Dec 16 16:32:24 GMT 2023 , Edited by admin on Sat Dec 16 16:32:24 GMT 2023
PRIMARY
FDA UNII
SK9MBM5DJ5
Created by admin on Sat Dec 16 16:32:24 GMT 2023 , Edited by admin on Sat Dec 16 16:32:24 GMT 2023
PRIMARY