Cathedulin K 15
AlkaPlorer ID: AK098197
Synonym: 'Catheduline K 15'
IUPAC Name: [(1R,3S,13R,14R,17R,18S,19S,20R,21R,22R,23S,24S,25R)-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-hydroxy-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)O)[C@@]4(C)O
InChI: InChI=1S/C36H47NO17/c1-15-16(2)29(43)52-26-23(42)27(51-19(5)41)35(13-38)28(53-31(45)32(6,7)46)24(49-17(3)39)21-25(50-18(4)40)36(35,34(26,9)47)54-33(21,8)14-48-30(44)20-11-10-12-37-22(15)20/h10-12,15-16,21,23-28,38,42,46-47H,13-14H2,1-9H3/t15-,16-,21+,23-,24-,25+,26-,27-,28+,33-,34-,35-,36-/m1/s1
InChIKey: DAIBOXGEIUPRIR-HNUHQEFLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catha edulis | Catha | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 765.7620000000001
TPSA？: 260.84
MolLogP？: -0.3570999999999961
Number of H-Donors: 4
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|