UNPD58582
AlkaPlorer ID: AK356342
Synonym: None
IUPAC Name: [3-(cyanomethylidene)-2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] benzoate
Structure
SMILES: N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(O)C(OC(=O)C2=CC=CC=C2)C1O
InChI: InChI=1S/C21H25NO10/c22-7-6-11-13(30-21-18(28)17(27)16(26)14(9-23)31-21)8-12(24)19(15(11)25)32-20(29)10-4-2-1-3-5-10/h1-6,12-19,21,23-28H,8-9H2
InChIKey: CMXAEQAICZQYKP-UHFFFAOYSA-N
Reference
Nitrile glucosides and serotobenine from Campylospermum glaucum and Ouratea turnarea
PubChem CID: 74423487
CAS: 1049008-33-4
LOTUS: LTS0068831
COCONUT: CNP0149030.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Campylospermum glaucum | Campylospermum | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.42800000000017
TPSA？: 189.93
MolLogP？: -2.0274199999999976
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|