Trewiasine; N1''-De-Me
AlkaPlorer ID: AK316242
Synonym: Demethyltrewiasine
IUPAC Name: (11-chloro-21-hydroxy-12,15,20-trimethoxy-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) 2-(2-methylpropanoylamino)propanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C(OC)C(C)=CC=CC(OC)C1(O)CC(OC(O)=N1)C(C)C1OC1(C)C(OC(=O)C(C)N=C(O)C(C)C)CC(=O)N2C
InChI: InChI=1S/C36H50ClN3O11/c1-18(2)32(42)38-21(5)33(43)50-27-16-28(41)40(7)23-14-22(15-24(46-8)29(23)37)30(48-10)19(3)12-11-13-26(47-9)36(45)17-25(49-34(44)39-36)20(4)31-35(27,6)51-31/h11-15,18,20-21,25-27,30-31,45H,16-17H2,1-10H3,(H,38,42)(H,39,44)
InChIKey: ZOEMEKDIPYTCFY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mallotus nudiflorus | Mallotus | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 736.259
TPSA？: 181.47
MolLogP？: 5.018000000000004
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|