2-Amino-9-methyl-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286354
Synonym: Cortenuamide C
IUPAC Name: 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]docosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(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+
InChIKey: RQOUFHJWGJORSI-PCTHYMMNSA-N
Reference
CAS: 120040-25-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladiella sp. | Cladiella | Cladiellidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Sinularia sp. | Sinularia | Sinulariidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Cortinarius tenuipes | Cortinarius | Cortinariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 812.2269999999996
TPSA？: 168.94
MolLogP？: 8.864700000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|