Maytansinol-9-methyl ether-3-propionate
AlkaPlorer ID: AK039546
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] propanoate
Structure
SMILES: CCC(=O)O[C@H]1CC(=O)N(C)C2=CC(=CC(OC)=C2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(OC)C[C@H](OC(O)=N2)[C@@H](C)[C@@H]2O[C@@]12C
InChI: InChI=1S/C32H43ClN2O9/c1-9-27(37)43-25-16-26(36)35(5)21-14-20(15-22(39-6)28(21)33)13-18(2)11-10-12-24(40-7)32(41-8)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h10-12,14-15,19,23-25,29H,9,13,16-17H2,1-8H3,(H,34,38)/b12-10+,18-11+/t19-,23+,24-,25+,29+,31+,32+/m1/s1
InChIKey: SPMKSUQFIONEER-VPHPHSGVSA-N
Reference
Two novel ansamitocin analogs from <i>Actinosynnema pretiosum</i>
PubChem CID: 139583650
LOTUS: LTS0226337
{NPAtlas: NPA001981
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinosynnema pretiosum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 635.1540000000002
TPSA？: 128.65
MolLogP？: 4.936100000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|