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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O4
Molecular Weight 472.6997
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEDERAGENIN

SMILES

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O

InChI

InChIKey=PGOYMURMZNDHNS-MYPRUECHSA-N
InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Description

Hederagenin is a triterpenoid saponin. It can inhibit LPS-stimulated expression of iNOS, COX-2, and NF-κB. Hederagenin exhibits multiple pharmacological activities in the treatment of hyperlipidemia, antilipid peroxidation, antiplatelet aggregation, liver protection, antidepression, anti-inflammation.

CNS Activity

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.39 µM [IC50]
40.6 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Hederagenin, dissolved in 40% polyethylene glycol, was administered orally to mice at doses of 5 or 30 mg/kg/day for four consecutive days.
Route of Administration: Oral
In Vitro Use Guide
Treatment with hederagenin (10, 30 and 100uM) resulted in inhibited levels of protein expression of lipopolysaccharide-stimulated iNOS, COX-2, and NF-κB as well as production of NO, PGE2, TNF-α, IL-1β, and IL-6 induced by lipopolysaccharide in RAW 264.7 cells.