(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-10,12,14(26),16,18-pentaen-6-yl (2S)-2-(N,3-dimethylbutanamido)propanoate
AlkaPlorer ID: AK386676
Synonym: None
IUPAC Name: [(1S,2R,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-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-methylbutanoyl)amino]propanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(O)=N1)[C@@H](C)C1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC(C)C)CC(=O)N2C
InChI: InChI=1S/C37H52ClN3O10/c1-20(2)14-30(42)40(7)23(5)34(44)50-29-18-31(43)41(8)25-16-24(17-26(47-9)32(25)38)15-21(3)12-11-13-28(48-10)37(46)19-27(49-35(45)39-37)22(4)33-36(29,6)51-33/h11-13,16-17,20,22-23,27-29,33,46H,14-15,18-19H2,1-10H3,(H,39,45)/b13-11+,21-12+/t22-,23+,27+,28-,29+,33?,36+,37+/m1/s1
InChIKey: GEWFLWGDLGSWHE-IZLQAVAXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mallotus nudiflorus | Mallotus | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 734.2869999999999
TPSA？: 159.96
MolLogP？: 4.765000000000004
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|