(2Z)-2-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
AlkaPlorer ID: AK593252
Synonym: None
IUPAC Name: 2-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
Structure
SMILES: CC(C#N)=CCOC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H17NO6/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-11,13-16H,3,5H2,1H3
InChIKey: ZMELGIPFIBWPHX-UHFFFAOYSA-N
Reference
New compounds from Rhodiola kirilowii
PubChem CID: 20979868
CAS: 168433-86-1
LOTUS: LTS0218457
COCONUT: CNP0194652.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodiola semenovii | Rhodiola | Crassulaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 259.258
TPSA？: 123.17000000000002
MolLogP？: -1.7272200000000006
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|