(2S,3S,4R)-4-({4-[(2E)-4-hydroxy-2-methylbut-2-enamido]butyl}carbamoyl)-2-(4-hydroxyphenyl)-6,8-dimethoxy-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylic acid
AlkaPlorer ID: AK321860
Synonym: None
IUPAC Name: (2S,3S,4R)-4-[4-[[(E)-4-hydroxy-2-methylbut-2-enoyl]amino]butylcarbamoyl]-2-(4-hydroxyphenyl)-6,8-dimethoxy-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylic acid
Structure
SMILES: COC1=CC(OC)=C2C(=O)[C@H](C(O)=NCCCCN=C(O)/C(C)=C/CO)[C@@H](C3=CC=CC=C3)[C@@](C(=O)O)(C3=CC=C(O)C=C3)OC2=C1
InChI: InChI=1S/C35H38N2O10/c1-21(15-18-38)32(41)36-16-7-8-17-37-33(42)29-30(22-9-5-4-6-10-22)35(34(43)44,23-11-13-24(39)14-12-23)47-27-20-25(45-2)19-26(46-3)28(27)31(29)40/h4-6,9-15,19-20,29-30,38-39H,7-8,16-18H2,1-3H3,(H,36,41)(H,37,42)(H,43,44)/b21-15+/t29-,30-,35-/m1/s1
InChIKey: PRGTYLFBJVWLAJ-VRXTUPKQSA-N
Reference
Rocaglamides, Glycosides, and Putrescine Bisamides from <i>Aglaia </i><i>d</i><i>asyclada</i>
PubChem CID: 163191311
LOTUS: LTS0155073
SuperNatural Ⅲ: SN0293095-02
NPASS: NPC33962
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyrola media | Pyrola | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erophaca baetica | Erophaca | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 646.6930000000002
TPSA？: 187.7
MolLogP？: 4.996400000000005
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|