None
AlkaPlorer ID: AK324820
Synonym: None
IUPAC Name: [(E,3R,4R,5S,6R,9S,10S)-1-[formyl(methyl)amino]-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-22-methoxy-10,11,21-trimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-3,5,9-trimethylundec-1-en-6-yl] (2R)-2-methoxypropanoate
Structure
SMILES: CO[C@@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](C)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C/C[C@H](OC)[C@H]1C)OC)OC(=O)[C@@H](C)OC)[C@H](C)/C=C/N(C)C=O
InChI: InChI=1S/C50H72N4O14/c1-29(19-20-42(68-50(59)35(7)60-9)34(6)47(63-12)30(2)21-22-54(8)28-55)43(62-11)24-44-33(5)41(61-10)17-14-18-45-51-38(26-64-45)48-53-39(27-66-48)49-52-37(25-65-49)31(3)32(4)40(57)16-13-15-36(56)23-46(58)67-44/h13-14,16,18,21-22,25-36,41-44,47,56H,15,17,19-20,23-24H2,1-12H3/b16-13+,18-14+,22-21+/t29-,30+,31-,32+,33+,34-,35+,36-,41-,42+,43-,44-,47+/m0/s1
InChIKey: BRUHNRUCRJTARZ-KEERDTRWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 953.14
TPSA？: 225.22
MolLogP？: 7.627600000000009
Number of H-Donors: 1
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | 3Y1 cell line | Activity | nan | None | 10.1021/acs.jnatprod.8b00101 |
| Rattus norvegicus | 3Y1 cell line | IC50 | 7.0 | nM | 10.1021/acs.jnatprod.8b00101 |