KRN-7000
AlkaPlorer ID: AK001727
Synonym: '(+)-KRN-7000'
IUPAC Name: N-[(2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChI: InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43-,44-,46+,47-,48+,49-,50-/m1/s1
InChIKey: VQFKFAKEUMHBLV-DFQWGXFLSA-N
Reference
Glycolipids from Mirabilis himalaica
PubChem CID: 162959619
LOTUS: LTS0103092
SuperNatural Ⅲ: SN0397138-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mirabilis himalaica | Mirabilis | Nyctaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 858.3399999999998
TPSA？: 172.43
MolLogP？: 11.323299999999984
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|