Echinophyllin A
AlkaPlorer ID: AK297232
Synonym: None
IUPAC Name: 5-[2-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Structure
SMILES: CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CCN(CCC2=CC=C(O)C=C2)C1=O
InChI: InChI=1S/C28H37NO4/c1-19-11-15-28(3)23(26(32)33)5-4-6-24(28)27(19,2)16-12-21-14-18-29(25(21)31)17-13-20-7-9-22(30)10-8-20/h5,7-10,14,19,24,30H,4,6,11-13,15-18H2,1-3H3,(H,32,33)
InChIKey: FJBITCQPFVHFSN-UHFFFAOYSA-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 |
|---|