Simmondsin; Di-O-de-Me, 4-O-(3-methyl-2-butenoyl)
AlkaPlorer ID: AK313554
Synonym: Ehretioside A2
IUPAC Name: None
Structure
SMILES: CC(C)=CC(=O)OC1CC(OC2OC(CO)C(O)C(O)C2O)/C(=C/C#N)C(O)C1O
InChI: InChI=1S/C19H27NO10/c1-8(2)5-13(22)28-11-6-10(9(3-4-20)14(23)15(11)24)29-19-18(27)17(26)16(25)12(7-21)30-19/h3,5,10-12,14-19,21,23-27H,6-7H2,1-2H3/b9-3-
InChIKey: KACVHHBXBVTKMS-OQFOIZHKSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ehretia philippinensis | Ehretia | Ehretiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 429.4220000000001
TPSA？: 189.93
MolLogP？: -2.375019999999997
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|