Maytansinol; N-De-Me, 3-Ac
AlkaPlorer ID: AK118439
Synonym: N-Demethylansamitocin P1, N-Demethylmaytanacine, Ansamitocin PND 1, C 15003 PND 1, Antibiotic C 15003 PND 1
IUPAC Name: (11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-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) acetate
Structure
SMILES: COC1=CC2=CC(=C1Cl)NC(=O)CC(OC(C)=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2
InChI: InChI=1S/C29H37ClN2O9/c1-15-8-7-9-22(38-6)29(36)14-21(40-27(35)32-29)16(2)26-28(4,41-26)23(39-17(3)33)13-24(34)31-19-11-18(10-15)12-20(37-5)25(19)30/h7-9,11-12,16,21-23,26,36H,10,13-14H2,1-6H3,(H,31,34)(H,32,35)
InChIKey: IDPXHMRTHALESG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
| Actinosynnema pretiosum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 593.0730000000001
TPSA？: 144.95
MolLogP？: 3.6632000000000025
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|