2-Amino-9-methyl-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-(2R-Hydroxyheptadecanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286357
Synonym: None
IUPAC Name: 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]heptadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(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+
InChIKey: JSPNNZKWADNWHI-YSHSQTKCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polyporus | Polyporaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| None | Cornucopiae | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | 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 |
|---|