(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]icosanamide
AlkaPlorer ID: AK024484
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]icosanamide
Structure
SMILES: CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1
InChIKey: DCBUKXJYPRDHOR-FCZHZXJDSA-N
Reference
Two Cerebrosides and One Acylglycosyl Sterol from <i>Monochoria Vaginalis</i>
PubChem CID: 10771481
LOTUS: LTS0129065
SuperNatural Ⅲ: SN0061766-02
NPASS: NPC263545
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arisaema amurense | Arisaema | Araceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 770.145999999999
TPSA？: 168.94
MolLogP？: 7.694400000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | PC-12 | Activity | nan | None | 10.1021/acs.jnatprod.6b00954 |
| Rattus norvegicus | PC-12 | EC50 | 12400.0 | nM | 10.1021/acs.jnatprod.6b00954 |
| None | Unchecked | FC | 3.12 | None | 10.1016/j.ejmech.2014.01.007 |