Acidissiminol; 6',7'-Dihydro, 6'ξ-acetoxy, 7'-hydroxy, 4'-hexadecanoyl
AlkaPlorer ID: AK283099
Synonym: Atalantum A
IUPAC Name: [(E)-6-acetyloxy-1-[4-(2-benzamidoethyl)phenoxy]-7-hydroxy-3,7-dimethyloct-2-en-4-yl] hexadecanoate
Structure
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CC(OC(C)=O)C(C)(C)O)/C(C)=C/COC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1
InChI: InChI=1S/C43H65NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-41(46)51-39(33-40(43(4,5)48)50-35(3)45)34(2)30-32-49-38-27-25-36(26-28-38)29-31-44-42(47)37-22-19-18-20-23-37/h18-20,22-23,25-28,30,39-40,48H,6-17,21,24,29,31-33H2,1-5H3,(H,44,47)/b34-30+
InChIKey: SYQHBEOYXGINGA-VBMGMRCRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia monophylla | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 707.9930000000002
TPSA？: 114.65
MolLogP？: 10.0448
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 3060.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 22020.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 34770.0 | nM | 10.1021/acs.jnatprod.6b00908 |