Echinophyllin E
AlkaPlorer ID: AK047459
Synonym: '(-)-Echinophyllin E', 'echinophyllin E'
IUPAC Name: (4aR,5S,6R,8aR)-5-[2-[1-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]-5-oxo-2H-pyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Structure
SMILES: COC1=CC(/C=C/C(O)=NCCCCN2CC(CC[C@@]3(C)[C@H](C)CC[C@@]4(C)C(C(=O)O)=CCC[C@H]34)=CC2=O)=CC=C1O
InChI: InChI=1S/C34H46N2O6/c1-23-14-16-34(3)26(32(40)41)8-7-9-29(34)33(23,2)17-15-25-21-31(39)36(22-25)19-6-5-18-35-30(38)13-11-24-10-12-27(37)28(20-24)42-4/h8,10-13,20-21,23,29,37H,5-7,9,14-19,22H2,1-4H3,(H,35,38)(H,40,41)/b13-11+/t23-,29-,33+,34+/m1/s1
InChIKey: JVBPDKGCYMOBFJ-JNLVQPRNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinodorus macrophyllus | Echinodorus | Alismataceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 578.7500000000003
TPSA？: 119.66
MolLogP？: 6.563000000000009
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|