Cortenuamide C
AlkaPlorer ID: AK044305
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]docosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChI: InChI=1S/C47H89NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-30-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-27-29-33-38(3)32-28-25-23-11-9-7-5-2/h31,33-34,39-45,47,49-54H,4-30,32,35-37H2,1-3H3,(H,48,55)/b34-31+,38-33+/t39-,40+,41+,42+,43+,44-,45+,47+/m0/s1
InChIKey: RQOUFHJWGJORSI-ZJWDJEBPSA-N
Reference
Ceramide and Cerebrosides from the Octocoral <i>Sarcophyton ehrenbergi</i>
PubChem CID: 45272231
LOTUS: LTS0073463
SuperNatural Ⅲ: SN0332558-02
NPASS: NPC167538
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcophyton ehrenbergi | Sarcophyton | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 812.2269999999996
TPSA？: 172.42999999999998
MolLogP？: 9.705000000000004
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Klebsiella aerogenes | Klebsiella aerogenes | Activity | None | None | 10.1021/np800362g |
| Mus musculus | RAW264.7 | Activity | None | None | 10.1021/np800362g |
| Salmonella enterica subsp. enterica | Salmonella enterica subsp. enterica | Activity | None | None | 10.1021/np800362g |
| Serratia marcescens | Serratia marcescens | Activity | None | None | 10.1021/np800362g |
| Shigella sonnei | Shigella sonnei | Activity | None | None | 10.1021/np800362g |
| Yersinia enterocolitica | Yersinia enterocolitica | Activity | None | None | 10.1021/np800362g |