UNPD85609
AlkaPlorer ID: AK268807
Synonym: None
IUPAC Name: [(1S,2E,3R,5S,6S)-2-(cyanomethylidene)-5,6-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 3-methylbut-2-enoate
Structure
SMILES: CC(C)=CC(=O)O[C@H]1/C(=C/C#N)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)[C@@H]1O
InChI: InChI=1S/C19H27NO10/c1-8(2)5-13(23)30-18-9(3-4-20)11(6-10(22)14(18)24)28-19-17(27)16(26)15(25)12(7-21)29-19/h3,5,10-12,14-19,21-22,24-27H,6-7H2,1-2H3/b9-3+/t10-,11+,12+,14-,15+,16-,17+,18-,19+/m0/s1
InChIKey: WMIIQRWNZOEVQH-ICJMCYDYSA-N
Reference
Nitrile glucosides and rosmarinic acid, the histamine inhibitor from Ehretia philippinensis
PubChem CID: 10342584
LOTUS: LTS0118614
SuperNatural Ⅲ: SN0414144-01
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？: -2.375019999999998
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|