equisetin
AlkaPlorer ID: AK043039
Synonym: '(-)-Equisetin', '(-)-equisetin', 'Equisetin', 'N-methyltrichosetin'
IUPAC Name: (3E,5S)-3-[[(1R,2R,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
Structure
SMILES: C/C=C/[C@@H]1C=C[C@H]2C[C@H](C)CC[C@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@H](CO)N(C)C1=O
InChI: InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14+,15-,16-,17+,22+/m1/s1
InChIKey: QNQBPPQLRODXET-DHCOWJKISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Equisetum arvense | Equisetum | Equisetaceae | Equisetales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.4930000000001
TPSA？: 77.84
MolLogP？: 3.021300000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|