JCer-1
AlkaPlorer ID: AK076043
Synonym: '(+)-JCer 1'
IUPAC Name: (2S)-2-hydroxy-N-[(2R,3S,4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadecanamide
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)N=C(O)[C@@H](O)CCCCCCCCCCCCCCCC
InChI: InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,34-40,42,44-49H,3-19,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b22-20-,30-28+/t34-,35+,36+,37-,38-,39+,40-,42-/m1/s1
InChIKey: BLFKVICPDXPVLY-KWLPPSTRSA-N
Reference
Inhibitors of Osteoclast Formation from Rhizomes of <i>Cibotium barometz</i>
PubChem CID: 163049861
LOTUS: LTS0070301
SuperNatural Ⅲ: SN0028632-07
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cibotium barometz | Cibotium | Cibotiaceae | Cyatheales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 742.0919999999992
TPSA？: 172.43
MolLogP？: 7.754500000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|