(2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene
AlkaPlorer ID: AK053677
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-9-en-2-yl]tetracosanamide
Structure
SMILES: CCCCCCCC/C=C/CCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,38-41,44-47H,3-24,26,28-37H2,1-2H3,(H,43,48)/b27-25+/t38-,39+,40+,41-/m0/s1
InChIKey: NDAGVZHFRAVTBZ-VYECVMTFSA-N
Reference
Biologically Active Arborinane-Type Triterpenoids and Anthraquinones from <i>Rubia yunnanensis</i>
PubChem CID: 11765141
LOTUS: LTS0110773
SuperNatural Ⅲ: SN0242174-01
NPASS: NPC71633
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rubia yunnanensis | Rubia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.1279999999997
TPSA？: 110.02
MolLogP？: 10.625399999999996
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|