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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O5
Molecular Weight 246.2155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPIMPINELLIN

SMILES

COC1=C2OC=CC2=C(OC)C3=C1OC(=O)C=C3

InChI

InChIKey=DFMAXQKDIGCMTL-UHFFFAOYSA-N
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3

HIDE SMILES / InChI

Description

Isopimpinellin is a natural product synthesized by Umbelliferae (or Apiaceae), also known as the carrot or parsley family. It can be found in celery, garden angelica, parsnip, fruits and in the rind and pulp of limes. There have been several studies looking into the effects of Isopimpinellin and other so-called naturally occurring coumarins (such as bergamottin and Imperatorin) as anticarcinogens.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
35, 70 and 150 mg/kg
Route of Administration: Oral
In Vitro Use Guide
RAW264.7 cells were seeded in 96-well plates and maintained in DMEM supplemented with 5% FBS, 100 U/ml penicillin, and 100 mg/ml streptomycin. After incubation at 37 °C for 24 h, compounds were added into the media and incubated for 4 h. Then LPS (1 mg/ml) was added and co-incubated for another 24 h. After that, the supernatant of the media was mixed with an equal volume of Griess reagent. Nitrite production was determined by measuring the optical density at 540 nm.