UNPD30885
AlkaPlorer ID: AK079273
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,13Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,13-dien-2-yl]tetradecanamide
Structure
SMILES: CCCCCCCC/C=C\CCCCCCC/C=C/[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)CCCCCCCCCCCC
InChI: InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-14-12-10-8-6-4-2/h16-17,28,30,34-40,42,44-49H,3-15,18-27,29,31-33H2,1-2H3,(H,43,50)/b17-16-,30-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
InChIKey: MOQQBSZILUXXBS-OJKKOOKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asterias amurensis | Asterias | Asteriidae | Forcipulatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 742.0919999999994
TPSA？: 172.43
MolLogP？: 7.754500000000014
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | None | None | 10.1021/np050530e |