Echinophyllin D
AlkaPlorer ID: AK187582
Synonym: '(-)-Echinophyllin D'
IUPAC Name: (4aR,5S,6R,8aR)-5-[2-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2H-pyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Structure
SMILES: C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)N(CCC2=CC=C(O)C=C2)C1
InChI: InChI=1S/C28H37NO4/c1-19-11-14-28(3)23(26(32)33)5-4-6-24(28)27(19,2)15-12-21-17-25(31)29(18-21)16-13-20-7-9-22(30)10-8-20/h5,7-10,17,19,24,30H,4,6,11-16,18H2,1-3H3,(H,32,33)/t19-,24-,27+,28+/m1/s1
InChIKey: FIFBPJURVPRVLF-MLXWKZDWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinodorus macrophyllus | Echinodorus | Alismataceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.6070000000002
TPSA？: 77.84
MolLogP？: 5.347000000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|