Chemical Property of Heraclenin
Chemical Property:
- Vapor Pressure:4.67E-09mmHg at 25°C
- Melting Point:111℃
- Boiling Point:471.4°Cat760mmHg
- Flash Point:238.9°C
- PSA：65.11000
- Density:1.32g/cm3
- LogP:3.09540
- Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
- XLogP3:2.2
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:3
- Exact Mass:286.08412354
- Heavy Atom Count:21
- Complexity:471
- Purity/Quality:
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≥98% *data from raw suppliers
Heraclenin *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
- Isomeric SMILES:CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
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Description
Heraclenin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Heraclenin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Heraclenin can be found in carrot, lemon, and wild carrot, which makes heraclenin a potential biomarker for the consumption of these food products.
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Uses
Heraclenin inhibits T cell-receptor-mediated proliferation in human primary T cells in a concentration-dependent manner. Heraclenin also induces apoptosis. While imperatorin induces DNA fragmentation at the G1/S phase of the cell cycle, heraclenin induces DNA fragmentation at the G2/M phases of the cell cycle, thus despite a close structural similarity they induce apoptosis in mechanistically different ways.
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Biological Functions
Heraclenin has anticoagulant, and anti-inflammatory activities, it also has mutagenicity in Chlamydomonas reinhardii. Heraclenin can induce apoptosis in Jurkat leukemia cells, it has a strong clastogenic effect . (+)-Heraclenin displays significant levels of antiplasmodial and moderate levels of antimicrobial activities.
