maytansine
AlkaPlorer ID: AK005731
Synonym: '', 'MAYTANSINE', 'Maysanine', 'Maitansine', 'NSC 153858', 'Maytansine', 'Maytansin', 'Alanine, N-acetyl-N-methyl-, 6-ester with 11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo19.3.1.1(10,24).0(3,5)hexacosa-10,12,1426,16,18-pentaene-8,23-dione', 'NSC-153858', 'MTS'
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-[acetyl(methyl)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)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(C)=O)CC(=O)N2C
InChI: InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10?,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
InChIKey: WKPWGQKGSOKKOO-WLNOZUDTSA-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: 692.206
TPSA？: 159.96
MolLogP？: 3.738800000000002
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|