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hyponine E

AlkaPlorer ID: AK008433

Synonym: 'hyponin E', '7-(nicotinoyloxy)-O(5)-furanoyl-O(5)-deacetyl-7-deoxo-evonine'

IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21-triacetyloxy-20-(acetyloxymethyl)-24-(furan-2-carbonyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-22-yl] pyridine-3-carboxylate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CN=C3)[C@@H]3[C@@H](OC(=O)C4=CC=CO4)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O

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InChI: InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-12-9-15-46-18-27)30-34(64-41(55)29-14-11-17-57-29)45(44,43(35,8)56)66-42(30,7)19-59-40(54)28-13-10-16-47-31(21)28/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3/t21-,22+,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1

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InChIKey: PMRSIAJYXABCTQ-XPYIAHFXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tripterygium hypoglaucum Tripterygium Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 920.874

TPSA？: 278.78

MolLogP？: 2.6093000000000024

Number of H-Donors: 1

Number of H-Acceptors: 21

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information