Cathedulin K 19
AlkaPlorer ID: AK089163
Synonym: 'Catheduline K 19'
IUPAC Name: [(4R,5S,6R,7R,9S,19E,21S,24R,25S,26R,27R,44R,45R)-6,25,26-triacetyloxy-45-hydroxy-40,43-dimethoxy-9,21,45-trimethyl-2,12,22,30-tetraoxo-3,8,11,23,29,38-hexaoxa-17,33-diazaoctacyclo[37.2.2.14,27.17,24.05,9.07,27.013,18.031,36]pentatetraconta-1(41),13(18),14,16,19,31(36),32,34,39,42-decaen-44-yl] 2-acetyloxy-2-methylpropanoate
Structure
SMILES: COC1=C2OCC3=CC=NC=C3C(=O)OC[C@]34[C@@H](OC(=O)C(C)(C)OC(C)=O)[C@H](OC(=O)C(=C1)C=C2OC)[C@H]1[C@@H](OC(C)=O)[C@]32O[C@]1(C)COC(=O)C1=CC=CN=C1/C=C/[C@H](C)C(=O)O[C@H]([C@@H](OC(C)=O)[C@@H]4OC(C)=O)[C@@]2(C)O
InChI: InChI=1S/C54H58N2O23/c1-25-14-15-34-32(13-12-17-56-34)47(63)70-23-51(8)37-39-43(77-49(65)50(6,7)78-29(5)60)53(24-71-48(64)33-21-55-18-16-30(33)22-69-38-35(67-10)19-31(46(62)75-39)20-36(38)68-11)44(74-28(4)59)40(72-26(2)57)42(76-45(25)61)52(9,66)54(53,79-51)41(37)73-27(3)58/h12-21,25,37,39-44,66H,22-24H2,1-11H3/b15-14+/t25-,37-,39+,40+,41+,42+,43-,44-,51+,52+,53+,54+/m0/s1
InChIKey: UPRBGLBIQADMJX-PBJOBLCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catha edulis | Catha | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1103.0489999999998
TPSA？: 319.63
MolLogP？: 3.157400000000003
Number of H-Donors: 1
Number of H-Acceptors: 25
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|