(2S,3R,4E,8E)‐1‐(β‐d‐glucopyranosyl)‐3‐hydroxy‐2‐[(R)‐2′‐hydroxyheptadecanoyl]amino‐9‐methyl‐4,8‐octadecadiene
AlkaPlorer ID: AK092265
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]heptadecanamide
Structure
SMILES: CCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChI: InChI=1S/C42H79NO9/c1-4-6-8-10-12-13-14-15-16-17-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h26,28-29,34-40,42,44-49H,4-25,27,30-32H2,1-3H3,(H,43,50)/b29-26+,33-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
InChIKey: JSPNNZKWADNWHI-PNANGNLXSA-N
Reference
PubChem CID: 70691586
LOTUS: LTS0207882
SuperNatural Ⅲ: SN0174113-02
NPASS: NPC229721
{NPAtlas: NPA019920
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcodon scabrosus | Sarcodon | Thelephoraceae | Thelephorales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| None | Polyporus | Polyporaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 742.0919999999994
TPSA？: 172.42999999999998
MolLogP？: 7.754500000000013
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Amyloid-beta A4 protein | IC50 | 62700.0 | nM | 10.1016/j.bmcl.2019.126808 |
| Rattus norvegicus | PC-12 | Inhibition | nan | % | 10.1016/j.bmcl.2012.02.031 |