Maytansinol-9-methyl ether-3-3'-methylbutyrate
AlkaPlorer ID: AK055474
Synonym: None
IUPAC Name: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-12,20,21-trimethoxy-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] 3-methylbutanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(OC)C[C@H](OC(O)=N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)CC(C)C)CC(=O)N2C
InChI: InChI=1S/C34H47ClN2O9/c1-19(2)13-29(39)45-27-17-28(38)37(6)23-15-22(16-24(41-7)30(23)35)14-20(3)11-10-12-26(42-8)34(43-9)18-25(44-32(40)36-34)21(4)31-33(27,5)46-31/h10-12,15-16,19,21,25-27,31H,13-14,17-18H2,1-9H3,(H,36,40)/b12-10+,20-11+/t21-,25+,26-,27+,31+,33+,34+/m1/s1
InChIKey: KUOYOPPRMATLNZ-AFGUKAAWSA-N
Reference
Two novel ansamitocin analogs from <i>Actinosynnema pretiosum</i>
PubChem CID: 139584140
LOTUS: LTS0117540
{NPAtlas: NPA003767
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinosynnema pretiosum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 663.2080000000001
TPSA？: 128.65
MolLogP？: 5.572200000000006
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|