UNPD79391
AlkaPlorer ID: AK268081
Synonym: None
IUPAC Name: (2R)-N-[(1R,2S,3R,4E,8Z)-1,3-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-4,8-dien-2-yl]-2-hydroxypentacosanamide
Structure
SMILES: CCCCC/C=C\CC/C=C/[C@@H](O)[C@H](N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C45H85NO10/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-37(49)43(53)46-39(36(48)33-31-29-27-25-12-10-8-6-4-2)44(54)56-45-42(52)41(51)40(50)38(35-47)55-45/h12,25,31,33,36-42,44-45,47-52,54H,3-11,13-24,26-30,32,34-35H2,1-2H3,(H,46,53)/b25-12-,33-31+/t36-,37-,38-,39+,40-,41+,42-,44-,45+/m1/s1
InChIKey: CWLCUCJEGFTZBA-DSTMNHQJSA-N
Reference
A new cerebroside and its anti-proliferation effect on VSMCs from the radix of Cyperus rotundus L.
PubChem CID: 163038633
LOTUS: LTS0211405
SuperNatural Ⅲ: SN0057416-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cyperus rotundus | Cyperus | Cyperaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 800.1720000000007
TPSA？: 192.66
MolLogP？: 8.243200000000002
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|