Cathedulin K 12
AlkaPlorer ID: AK099089
Synonym: 'Catheduline K 12'
IUPAC Name: [(1R,3R,13R,14R,17R,18R,19S,20R,21R,22S,23S,24R,25S)-18,19,24-triacetyloxy-21-(2-acetyloxy-2-methylpropanoyl)oxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-22-(2,3,4-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(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(C)=O)[C@@]4(COC(=O)C3=CC=CN=C3)[C@H]2OC(=O)C(C)(C)OC(C)=O)[C@]5(C)O)C(OC)=C1OC
InChI: InChI=1S/C54H62N2O23/c1-25-26(2)45(61)76-42-40(72-27(3)57)44(74-29(5)59)53(24-71-46(62)31-16-14-20-55-22-31)43(77-49(65)50(7,8)78-30(6)60)39(75-48(64)33-18-19-34(67-11)38(69-13)37(33)68-12)35-41(73-28(4)58)54(53,52(42,10)66)79-51(35,9)23-70-47(63)32-17-15-21-56-36(25)32/h14-22,25-26,35,39-44,66H,23-24H2,1-13H3/t25-,26-,35+,39+,40+,41-,42-,43+,44-,51+,52+,53-,54-/m1/s1
InChIKey: AFJODGVFFQTKRS-JJWVONERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catha edulis | Catha | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1107.0809999999997
TPSA？: 319.63
MolLogP？: 3.363900000000005
Number of H-Donors: 1
Number of H-Acceptors: 25
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|