Acidissiminol; 6',7'-Dihydro, 6'-acetoxy, 7'-hydroxy
AlkaPlorer ID: AK283098
Synonym: None
IUPAC Name: [(E)-8-[4-(2-benzamidoethyl)phenoxy]-2,5-dihydroxy-2,6-dimethyloct-6-en-3-yl] acetate
Structure
SMILES: CC(=O)OC(CC(O)/C(C)=C/COC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1)C(C)(C)O
InChI: InChI=1S/C27H35NO6/c1-19(24(30)18-25(27(3,4)32)34-20(2)29)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: QLDSJOZIZGDKNT-XDJHFCHBSA-N
Reference
Novas N-benzoiltiraminas de Swinglea glutinosa (Rutaceae)
PubChem CID: 132501017
CAS: 1449006-00-1
LOTUS: LTS0124168
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: 469.57800000000015
TPSA？: 108.58
MolLogP？: 4.012600000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|