Patriscabratine; (ξ,ξ)-form
AlkaPlorer ID: AK309462
Synonym: None
IUPAC Name: (2-acetamido-3-phenylpropyl) 2-benzamido-3-phenylpropanoate
Structure
SMILES: CC(O)=NC(COC(=O)C(CC1=CC=CC=C1)N=C(O)C1=CC=CC=C1)CC1=CC=CC=C1
InChI: InChI=1S/C27H28N2O4/c1-20(30)28-24(17-21-11-5-2-6-12-21)19-33-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,30)(H,29,31)
InChIKey: UBQCFEASTTXIKB-UHFFFAOYSA-N
Reference
Two new iridoids from Patrinia scabra
PubChem CID: 5320433
LOTUS: LTS0150488
NPASS: NPC106814
COCONUT: CNP0423616.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Patrinia scabra | Patrinia | Caprifoliaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gastrodia elata | Gastrodia | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 444.5310000000002
TPSA？: 91.48
MolLogP？: 4.733400000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|