10-acetylaglain B
AlkaPlorer ID: AK058650
Synonym: '4-Epiaglain A', 'Aglain A', '(+)-Aglain A', '(-)-10-O-Acetylaglain B', '4-epiaglain', '(-)-4-Epiaglain A', '10-O-Acetylaglain B'
IUPAC Name: [(1S,9S,10R,11S,12R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2S)-2-[[(2S)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate
Structure
SMILES: CC[C@H](C)C(O)=N[C@@H]1CCCN1C(=O)[C@H]1[C@H](C2=CC=CC=C2)[C@@]2(C3=CC=C(OC)C=C3)OC3=CC(OC)=CC(OC)=C3[C@]1(O)[C@H]2OC(C)=O
InChI: InChI=1S/C38H44N2O9/c1-7-22(2)34(42)39-30-14-11-19-40(30)35(43)33-31(24-12-9-8-10-13-24)38(25-15-17-26(45-4)18-16-25)36(48-23(3)41)37(33,44)32-28(47-6)20-27(46-5)21-29(32)49-38/h8-10,12-13,15-18,20-22,30-31,33,36,44H,7,11,14,19H2,1-6H3,(H,39,42)/t22-,30-,31-,33+,36+,37+,38+/m0/s1
InChIKey: HCNJABPCRMQADU-IGRJALECSA-N
Reference
New nitrogenous and aromatic derivatives from Aglaia argentea and A. forbesii
PubChem CID: 162907460
LOTUS: LTS0237024
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia elliptica | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.7750000000002
TPSA？: 136.35000000000002
MolLogP？: 5.484300000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|