Sch 54445
AlkaPlorer ID: AK044774
Synonym: None
IUPAC Name: (13R,20S,21R,24S,25S)-6-amino-7-butan-2-yl-10-chloro-3,24,28-trihydroxy-21-methoxy-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,22,27-octaene-5,26-dione
Structure
SMILES: CCC(C)C1=CC2=C(Cl)C3=C(C4=C(O)C5=C(O[C@H]6[C@@H](C5=O)[C@@H](O)C=C[C@H]6OC)C5=C4[C@@H](C3)OCO5)C(O)=C2C(=O)N1N
InChI: InChI=1S/C30H29ClN2O9/c1-4-10(2)13-7-11-18(30(38)33(13)32)24(35)17-12(23(11)31)8-16-20-21(17)26(37)22-25(36)19-14(34)5-6-15(39-3)27(19)42-29(22)28(20)41-9-40-16/h5-7,10,14-16,19,27,34-35,37H,4,8-9,32H2,1-3H3/t10?,14-,15+,16+,19+,27+/m0/s1
InChIKey: LGOPVBMUGSRUOT-NLGWJYKOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes sp. | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 597.0200000000001
TPSA？: 162.70000000000005
MolLogP？: 3.429700000000002
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | LD50 | 1.0 | mg.kg-1 | 10.1021/np960737v |