UNPD79471
AlkaPlorer ID: AK024414
Synonym: None
IUPAC Name: (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytetracosanamide
Structure
SMILES: CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,49,57)/b29-27-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
InChIKey: QZNIVVAKPLIDJX-BFCDFHHJSA-N
Reference
Isolation and Structure Elucidation of Cerebrosides from Euphorbia Platyphyllos L.
PubChem CID: 9832502
LOTUS: LTS0249077
SuperNatural Ⅲ: SN0319416-06
NPASS: NPC61894
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Comactinia meridionalis | Comactinia | Comatulidae | Comatulida | Crinoidea | Echinodermata | Metazoa | Eukaryota |
| Limonia acidissima | Limonia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 844.2689999999988
TPSA？: 192.66
MolLogP？: 9.2899
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pieris brassicae | Pieris brassicae | Activity | 62.0 | % | 10.1021/jf030292y |
| Pieris brassicae | Pieris brassicae | mortality | 50.0 | % | 10.1021/jf030292y |