UNPD16727
AlkaPlorer ID: AK038643
Synonym: None
IUPAC Name: (2Z)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
Structure
SMILES: CO[C@H]1[C@@H](OC)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C#N)[C@@H]1O
InChI: InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3+/t8-,9+,10-,11+,12-,13+,14-,15+,16-/m1/s1
InChIKey: KURSRHBVYUACKS-XGYNEUJOSA-N
Reference
Nitrile glucosides and rosmarinic acid, the histamine inhibitor from Ehretia philippinensis
PubChem CID: 6437384
LOTUS: LTS0074497
SuperNatural Ⅲ: SN0195905-07
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ehretia philippinensis | Ehretia | Ehretiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.3740000000001
TPSA？: 161.86
MolLogP？: -2.583919999999997
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|