(1S,2R,3S,5S,6S,15R,20R,21S)-11-chloro-15,21-dihydroxy-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 (2R)-2-(N,2-dimethylpropanamido)propanoate
AlkaPlorer ID: AK354727
Synonym: None
IUPAC Name: [(16E,18E)-11-chloro-15,21-dihydroxy-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] 2-[methyl(2-methylpropanoyl)amino]propanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C(O)/C(C)=C/C=C/C(OC)C1(O)CC(OC(O)=N1)C(C)C1OC1(C)C(OC(=O)C(C)N(C)C(=O)C(C)C)CC(=O)N2C
InChI: InChI=1S/C36H50ClN3O11/c1-18(2)32(43)39(7)21(5)33(44)50-27-16-28(41)40(8)23-14-22(15-24(47-9)29(23)37)30(42)19(3)12-11-13-26(48-10)36(46)17-25(49-34(45)38-36)20(4)31-35(27,6)51-31/h11-15,18,20-21,25-27,30-31,42,46H,16-17H2,1-10H3,(H,38,45)/b13-11+,19-12+
InChIKey: CJFMMFRLGXTVGK-SZFRVYISSA-N
Reference
Additional New Maytansinoids from Trewia nudiflora: 10-Epitrewiasine and Nortrewiasine
PubChem CID: 5476169
LOTUS: LTS0140519
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？: 180.19000000000003
MolLogP？: 3.865800000000002
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|