methyl (11R,12S,13R)-2-methoxy-11-(4-methoxyphenyl)-13-[(2S)-2-(2-methylpropanamido)pyrrolidine-1-carbonyl]-14-oxo-12-phenyl-4,6,10-trioxatricyclo[7.5.0.0³,⁷]tetradeca-1(9),2,7-triene-11-carboxylate
AlkaPlorer ID: AK063473
Synonym: None
IUPAC Name: methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2S)-2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylate
Structure
SMILES: COC(=O)[C@@]1(C2=CC=C(OC)C=C2)OC2=CC3=C(OCO3)C(OC)=C2C(=O)[C@H](C(=O)N2CCC[C@H]2N=C(O)C(C)C)[C@H]1C1=CC=CC=C1
InChI: InChI=1S/C36H38N2O10/c1-20(2)33(40)37-26-12-9-17-38(26)34(41)28-29(21-10-7-6-8-11-21)36(35(42)45-5,22-13-15-23(43-3)16-14-22)48-24-18-25-31(47-19-46-25)32(44-4)27(24)30(28)39/h6-8,10-11,13-16,18,20,26,28-29H,9,12,17,19H2,1-5H3,(H,37,40)/t26-,28+,29+,36-/m0/s1
InChIKey: MVYWULHEWFKICS-HNDTTWSESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia edulis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 658.7040000000004
TPSA？: 142.42
MolLogP？: 5.037100000000004
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|