Maytansinol; N-De-Me, 3-O-(2-methylpropanoyl)
AlkaPlorer ID: AK305362
Synonym: N-Demethylanisamitocin P3, C 15003 PND 3, Antibiotic C 15003 PND 3, Ansamitocin PND 3
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) 2-methylpropanoate
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)C)CC(O)=N2
InChI: InChI=1S/C31H41ClN2O9/c1-16(2)28(36)42-24-14-25(35)33-20-12-19(13-21(39-6)26(20)32)11-17(3)9-8-10-23(40-7)31(38)15-22(41-29(37)34-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,38H,11,14-15H2,1-7H3,(H,33,35)(H,34,37)
InChIKey: BOYNDXJJKZMFBK-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: 621.1270000000002
TPSA？: 151.93
MolLogP？: 5.153200000000004
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|