(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-(N-methylpropanamido)propanoate
AlkaPlorer ID: AK014293
Synonym: None
IUPAC Name: [(1S,2R,3S,5S,6S,16E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(propanoyl)amino]propanoate
Structure
SMILES: CCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)C2=CC(=CC(OC)=C2Cl)C/C(C)=C/C=C[C@@H](OC)[C@@]2(O)C[C@H](OC(O)=N2)[C@@H](C)[C@@H]2O[C@@]12C
InChI: InChI=1S/C35H48ClN3O10/c1-10-28(40)38(6)21(4)32(42)48-27-17-29(41)39(7)23-15-22(16-24(45-8)30(23)36)14-19(2)12-11-13-26(46-9)35(44)18-25(47-33(43)37-35)20(3)31-34(27,5)49-31/h11-13,15-16,20-21,25-27,31,44H,10,14,17-18H2,1-9H3,(H,37,43)/b13-11?,19-12+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1
InChIKey: BVXGVRDMHBYRCQ-FFVBGLEHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Maytenus hookeri | Maytenus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Maytenus serrata | Maytenus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 706.2330000000002
TPSA？: 159.96
MolLogP？: 4.1289000000000025
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|