Acidissiminol; 6',7'-Dihydro, 6'ξ-acetoxy, 7'-hydroxy, 4'-tetradecanoyl
AlkaPlorer ID: AK283101
Synonym: Atalantum B
IUPAC Name: [(E)-6-acetyloxy-1-[4-(2-benzamidoethyl)phenoxy]-7-hydroxy-3,7-dimethyloct-2-en-4-yl] tetradecanoate
Structure
SMILES: CCCCCCCCCCCCCC(=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/C41H61NO7/c1-6-7-8-9-10-11-12-13-14-15-19-22-39(44)49-37(31-38(41(4,5)46)48-33(3)43)32(2)28-30-47-36-25-23-34(24-26-36)27-29-42-40(45)35-20-17-16-18-21-35/h16-18,20-21,23-26,28,37-38,46H,6-15,19,22,27,29-31H2,1-5H3,(H,42,45)/b32-28+
InChIKey: PIQIZBQIJGYTBR-VEWQFJOQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia monophylla | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 679.9390000000002
TPSA？: 114.65
MolLogP？: 9.264600000000003
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 | 2360.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 24000.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 24470.0 | nM | 10.1021/acs.jnatprod.6b00908 |