Acidissiminol; 6',7'-Dihydro, 6',7'-dihydroxy
AlkaPlorer ID: AK283103
Synonym: Dihydroxyacidissiminol
IUPAC Name: N-[2-[4-[(E)-4,6,7-trihydroxy-3,7-dimethyloct-2-enoxy]phenyl]ethyl]benzamide
Structure
SMILES: C/C(=C\COC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1)C(O)CC(O)C(C)(C)O
InChI: InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+
InChIKey: GDCAKUNBXRNADM-NBVRZTHBSA-N
Reference
Dihydroxy acidissiminol and acidissiminol epoxide, two tyramine derivatives from Limonia acidissima
PubChem CID: 101676196
CAS: 160387-10-0
LOTUS: LTS0158610
NPASS: NPC480457
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia monophylla | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Limonia acidissima | Limonia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.5410000000001
TPSA？: 102.51
MolLogP？: 3.441800000000002
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 11110.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 25840.0 | nM | 10.1021/acs.jnatprod.6b00908 |
| None | Unchecked | IC50 | 26760.0 | nM | 10.1021/acs.jnatprod.6b00908 |