Description:
Punicalin is an ellagitannin. It is a highly active carbonic anhydrase inhibitor with strong antioxidative activity. Punicalin have anti-hepatotoxic activity but the larger dose of punicalin induced liver damage.
- Molecular Weight: 782.53
- Molecular Formula: C34H22O22
Purity: 98% (mixture of anomers)
Canonical SMILES:
O=CC(O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C4OC(=O)C=5C(=C(O)C(O)=C6OC(=O)C3=C4C65)C7=C(O)C(O)=C(O)C=C7C(=O)OCC1O
InChI:
InChI=1S/C34H22O22/c35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-3,9-10,21,28,36-48H,4H2
InChIKey: GXGFDWGVOITBNW-UHFFFAOYSA-N
- Boiling Point: 1559.6±65.0 °C at 760 mmHg
- Solubility: In vitro: 10 mM in DMSO
- Appearance: Powder
Synonyms:
D-Glucose, cyclic 4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]; 2,20,1,23-(Epoxy[2]propene[1,2]diyl[3]ylidene)-11H,15H-tribenzo[g,i,q][1,5,12]trioxacyclononadecin, D-glucose deriv.; [1]Benzopyrano[5,4,3-cde][1]benzopyran, D-glucose deriv.
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