None
AlkaPlorer ID: AK323587
Synonym: None
IUPAC Name: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-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] (2S)-2-[acetyl(methyl)amino]propanoate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(O)=N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(C)=O)CC(O)=N2
InChI: InChI=1S/C33H44ClN3O10/c1-17-10-9-11-25(44-8)33(42)16-24(45-31(41)36-33)18(2)29-32(5,47-29)26(46-30(40)19(3)37(6)20(4)38)15-27(39)35-22-13-21(12-17)14-23(43-7)28(22)34/h9-11,13-14,18-19,24-26,29,42H,12,15-16H2,1-8H3,(H,35,39)(H,36,41)/b11-9+,17-10+/t18-,19+,24+,25-,26+,29+,32+,33+/m1/s1
InChIKey: QIAMMRXWXJOQDD-HZODFDCMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 678.1790000000001
TPSA？: 172.24
MolLogP？: 4.3640000000000025
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 1.0 | 10'-3 ug/ml | 10.1021/np50011a019 |
| Mus musculus | P388 | T/C | 181.0 | % | 10.1021/np50011a019 |