edulisone A
AlkaPlorer ID: AK042708
Synonym: None
IUPAC Name: methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2R)-2-(3-methylbutanoylamino)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]2NC(=O)CC(C)C)[C@H]1C1=CC=CC=C1
InChI: InChI=1S/C37H40N2O10/c1-21(2)18-28(40)38-27-12-9-17-39(27)35(42)30-31(22-10-7-6-8-11-22)37(36(43)46-5,23-13-15-24(44-3)16-14-23)49-25-19-26-33(48-20-47-26)34(45-4)29(25)32(30)41/h6-8,10-11,13-16,19,21,27,30-31H,9,12,17-18,20H2,1-5H3,(H,38,40)/t27-,30-,31-,37+/m1/s1
InChIKey: QURVJWZVCDNWBC-RJOONWIBSA-N
Reference
Edulisones A and B, two epimeric benzo[b]oxepine derivatives from the bark of Aglaia edulis
PubChem CID: 11592754
LOTUS: LTS0106008
SuperNatural Ⅲ: SN0315732-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia edulis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.7310000000002
TPSA？: 138.93
MolLogP？: 4.586900000000004
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|