Acidissiminol; 6',7'-Dihydro, 6',7'-dihydroxy, 4'-Ac
AlkaPlorer ID: AK283104
Synonym: None
IUPAC Name: [(E)-1-[4-(2-benzamidoethyl)phenoxy]-6,7-dihydroxy-3,7-dimethyloct-2-en-4-yl] acetate
Structure
SMILES: CC(=O)OC(CC(O)C(C)(C)O)/C(C)=C/COC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1
InChI: InChI=1S/C27H35NO6/c1-19(24(34-20(2)29)18-25(30)27(3,4)32)15-17-33-23-12-10-21(11-13-23)14-16-28-26(31)22-8-6-5-7-9-22/h5-13,15,24-25,30,32H,14,16-18H2,1-4H3,(H,28,31)/b19-15+
InChIKey: JUYRJOFZJVQKKJ-XDJHFCHBSA-N
Reference
Novas N-benzoiltiraminas de Swinglea glutinosa (Rutaceae)
PubChem CID: 132501016
CAS: 1449005-99-5
LOTUS: LTS0013732
NPASS: NPC480458
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia monophylla | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Swinglea glutinosa | Swinglea | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.5780000000002
TPSA？: 108.58
MolLogP？: 4.012600000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 28790.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 44480.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 49720.0 | nM | 10.1021/acs.jnatprod.6b00908 |