Acidissiminol; 6',7'-Dihydro, 4'-deoxy, 6'ξ-hydroxy, 4'ξ,7'-epoxy
AlkaPlorer ID: AK283102
Synonym: Atalantum G
IUPAC Name: N-[2-[4-[(E)-3-(4-hydroxy-5,5-dimethyloxolan-2-yl)but-2-enoxy]phenyl]ethyl]benzamide
Structure
SMILES: C/C(=C\COC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1)C1CC(O)C(C)(C)O1
InChI: InChI=1S/C25H31NO4/c1-18(22-17-23(27)25(2,3)30-22)14-16-29-21-11-9-19(10-12-21)13-15-26-24(28)20-7-5-4-6-8-20/h4-12,14,22-23,27H,13,15-17H2,1-3H3,(H,26,28)/b18-14+
InChIKey: YKAVTBPLBCQDSH-NBVRZTHBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia monophylla | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 409.5260000000001
TPSA？: 71.28
MolLogP？: 4.487400000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 7370.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 12210.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 21510.0 | nM | 10.1021/acs.jnatprod.6b00908 |