2-Amino-12-tetracosene-1,3,4-triol; (2ξ,3ξ,4ξ,12E)-form, N-Octadecanoyl
AlkaPlorer ID: AK287459
Synonym: Paullinomide A
IUPAC Name: N-[(E)-1,3,4-trihydroxytetracos-12-en-2-yl]octadecanamide
Structure
SMILES: CCCCCCCCCCC/C=C/CCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-40(45)42(47)39(38-44)43-41(46)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h21,23,39-40,42,44-45,47H,3-20,22,24-38H2,1-2H3,(H,43,46)/b23-21+
InChIKey: YXEZGSCBJLWKTO-XTQSDGFTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paullinia pinnata | Paullinia | Sapindaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 666.1289999999997
TPSA？: 89.78999999999999
MolLogP？: 11.654599999999991
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|