Cathedulin 5
AlkaPlorer ID: AK117904
Synonym: 'Catheduline E 5', 'Catheduline E 6 6-acetate', 'Catheduline 5'
IUPAC Name: [(1R,3R,13S,14S,17S,18R,19S,20S,21S,22R,23S,24S,25S)-18,24-diacetyloxy-21-(2-acetyloxy-2-methylpropanoyl)oxy-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-22-(3,4,5-trimethoxybenzoyl)oxy-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl pyridine-3-carboxylate
Structure
SMILES: COC1=CC(C(=O)O[C@@H]2[C@H]3[C@H](OC(C)=O)[C@]45O[C@@]3(C)COC(=O)C3=CC=CN=C3[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]4(COC(=O)C3=CC=CN=C3)[C@@H]2OC(=O)C(C)(C)OC(C)=O)[C@]5(C)O)=CC(OC)=C1OC
InChI: InChI=1S/C59H64N2O23/c1-29-30(2)49(65)80-46-44(77-31(3)62)48(81-51(67)34-18-14-13-15-19-34)58(28-76-50(66)35-20-16-22-60-26-35)47(82-54(70)55(6,7)83-33(5)64)43(79-52(68)36-24-38(72-10)42(74-12)39(25-36)73-11)40-45(78-32(4)63)59(58,57(46,9)71)84-56(40,8)27-75-53(69)37-21-17-23-61-41(29)37/h13-26,29-30,40,43-48,71H,27-28H2,1-12H3/t29-,30-,40-,43+,44-,45-,46-,47+,48+,56-,57-,58-,59+/m0/s1
InChIKey: QLSLPDXKDKRAGO-AFBVQHCYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catha edulis | Catha | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1169.1519999999996
TPSA？: 319.63
MolLogP？: 4.657800000000004
Number of H-Donors: 1
Number of H-Acceptors: 25
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|