(3S,8aR)-3-({4-[(1S,2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl}methyl)-hexahydropyrrolo[1,2-a]piperazine-1,4-dione
AlkaPlorer ID: AK187111
Synonym: None
IUPAC Name: (3S,8aR)-3-[[4-[(1S,2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: COC1=CC([C@H](OC2=CC=C(C[C@@H]3N=C(O)[C@H]4CCCN4C3=O)C=C2)[C@H](O)CO)=CC(OC)=C1O
InChI: InChI=1S/C25H30N2O8/c1-33-20-11-15(12-21(34-2)22(20)30)23(19(29)13-28)35-16-7-5-14(6-8-16)10-17-25(32)27-9-3-4-18(27)24(31)26-17/h5-8,11-12,17-19,23,28-30H,3-4,9-10,13H2,1-2H3,(H,26,31)/t17-,18+,19+,23-/m0/s1
InChIKey: KEHHDVAPJYKAGP-LVBDUCALSA-N
Reference
Two diketopiperazines from <i>Acanthopanax senticosus</i> Harms
PubChem CID: 162970812
LOTUS: LTS0102751
SuperNatural Ⅲ: SN0183308-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eleutherococcus senticosus | Eleutherococcus | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 486.5210000000003
TPSA？: 141.28
MolLogP？: 1.7548999999999997
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|