(2S, 3S, 4R)-2-[(2'R)-2'-hydroxyhexacosanoylamino]-1, 3, 4-octadecanetriol
AlkaPlorer ID: AK052437
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChI: InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42+,43-/m0/s1
InChIKey: XNLFLZXNXQVPII-IDAYOUIPSA-N
Reference
Sterol Constituents from the Fruit Bodies of Grifola frondosa (FR.) S. F. GRAY.
PubChem CID: 10628598
LOTUS: LTS0237471
SuperNatural Ⅲ: SN0435012-03
NPASS: NPC145627
{NPAtlas: NPA018124
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Deprea subtriflora | Deprea | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Grifola frondosa | Grifola | Grifolaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 712.1979999999993
TPSA？: 113.51
MolLogP？: 12.46989999999998
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Quinone oxidoreductase | CD | 2.5 | uM | 10.1021/np030081n |
| None | ADMET | IC50 | 7300.0 | nM | 10.1021/np030081n |
| None | Unchecked | Ratio | 3.0 | None | 10.1021/np030081n |