Cathedulin K 6
AlkaPlorer ID: AK087433
Synonym: 'Catheduline K 6'
IUPAC Name: [(1R,3S,13R,14R,17S,18R,19S,20S,21R,22R,23S,24S,25S)-19,22,24-triacetyloxy-18,25-dihydroxy-20-(hydroxymethyl)-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-21-yl] 2-acetyloxy-2-methylpropanoate
Structure
SMILES: CC(=O)O[C@@H]1[C@H]2[C@H](OC(C)=O)[C@]34O[C@]2(C)COC(=O)C2=CC=CN=C2[C@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](O)[C@@H](OC(C)=O)[C@@]3(CO)[C@H]1OC(=O)C(C)(C)OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C38H49NO18/c1-16-17(2)31(46)54-28-25(45)29(53-20(5)43)37(14-40)30(55-33(48)34(7,8)56-21(6)44)26(51-18(3)41)23-27(52-19(4)42)38(37,36(28,10)49)57-35(23,9)15-50-32(47)22-12-11-13-39-24(16)22/h11-13,16-17,23,25-30,40,45,49H,14-15H2,1-10H3/t16-,17-,23+,25+,26-,27+,28+,29-,30+,35-,36+,37+,38-/m1/s1
InChIKey: VIWDKWVPCGPPLP-WXUTVKLDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catha edulis | Catha | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 807.799
TPSA？: 266.91
MolLogP？: 0.2137000000000049
Number of H-Donors: 3
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|