echinophyllin C
AlkaPlorer ID: AK151963
Synonym: 'Echinophyllin C', '(-)-Echinophyllin C'
IUPAC Name: (4aS,5R,6S,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-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=CCN=C1O
InChI: InChI=1S/C20H29NO3/c1-13-7-10-20(3)15(18(23)24)5-4-6-16(20)19(13,2)11-8-14-9-12-21-17(14)22/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)(H,23,24)/t13-,16-,19+,20+/m0/s1
InChIKey: SMVIBINEORXRIL-DYLQCGAMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinodorus macrophyllus | Echinodorus | Alismataceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.456
TPSA？: 69.89
MolLogP？: 4.526600000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|