Maytansine; N-De-Ac, N-(2-methylpropanoyl)
AlkaPlorer ID: AK305346
Synonym: Maytanbutine, NSC 165014
IUPAC Name: (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) 2-[methyl(2-methylpropanoyl)amino]propanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)CC(C)=CC=CC(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/C36H50ClN3O10/c1-19(2)32(42)39(7)22(5)33(43)49-28-17-29(41)40(8)24-15-23(16-25(46-9)30(24)37)14-20(3)12-11-13-27(47-10)36(45)18-26(48-34(44)38-36)21(4)31-35(28,6)50-31/h11-13,15-16,19,21-22,26-28,31,45H,14,17-18H2,1-10H3,(H,38,44)
InChIKey: RJIVUFYDGYNSNE-UHFFFAOYSA-N
Reference
Maytanprine and maytanbutine, new antileukaemic ansa macrolides from Maytenus buchananii
PubChem CID: 295608
LOTUS: LTS0051280
COCONUT: CNP0280712.9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Maytenus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Colubrina texensis | Colubrina | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 720.26
TPSA？: 159.96
MolLogP？: 4.374900000000004
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|