UNPD14191
AlkaPlorer ID: AK115286
Synonym: None
IUPAC Name: (2Z)-2-[(2S,3S,4S,6R)-2,4-dihydroxy-3-methoxy-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](O)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/C15H23NO9/c1-23-14-7(18)4-8(6(2-3-16)10(14)19)24-15-13(22)12(21)11(20)9(5-17)25-15/h2,7-15,17-22H,4-5H2,1H3/b6-2+/t7-,8+,9+,10-,11+,12-,13+,14-,15+/m0/s1
InChIKey: SDYUFOBSNZFKRM-YODNPNMUSA-N
Reference
Gas Chromatographic Analysis of Simmondsins and Simmondsin Ferulates in Jojoba Meal
PubChem CID: 101948147
LOTUS: LTS0183738
SuperNatural Ⅲ: SN0342874-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Simmondsia chinensis | Simmondsia | Simmondsiaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.3470000000001
TPSA？: 172.86
MolLogP？: -3.238019999999997
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|