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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O10
Molecular Weight 496.5473
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLAUCARUBIN

SMILES

[H][C@]12[C@@]3(O)OC[C@@]14[C@@]([H])(C[C@@]5([H])C(C)=C[C@H](O)[C@@H](O)[C@]25C)OC(=O)[C@H](OC(=O)[C@@](C)(O)CC)[C@@]4([H])[C@@H](C)[C@H]3O

InChI

InChIKey=LZKVXMYVBSNXER-YZPKDWIXSA-N
InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H36O10
Molecular Weight 496.5473
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

GLAUCARUBIN is a quassinoid isolated from Simaruba glauca, a tropical shrub. It is used as an antiamebic agent.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Glarubin

Doses

PubMed

Sample Use Guides

In Vivo Use Guide
Treatment by mouth for 10 days with daily doses of 5 mg/kg (maximum daily dose of 300 mg).
Route of Administration: Oral
Substance Class Chemical
Record UNII
EH6H7VS52J
Record Status Validated (UNII)
Record Version