Desmodeleganine
AlkaPlorer ID: AK294911
Synonym: None
IUPAC Name: 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]oxy]-4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Structure
SMILES: CC(=O)C=C(OC1=CC2=C(C=C1)NC=C2CCN(C)C)C1=C(C)CC(O)CC1(C)C
InChI: InChI=1S/C25H34N2O3/c1-16-11-19(29)14-25(3,4)24(16)23(12-17(2)28)30-20-7-8-22-21(13-20)18(15-26-22)9-10-27(5)6/h7-8,12-13,15,19,26,29H,9-11,14H2,1-6H3
InChIKey: QFVJYHIKRGTOMB-UHFFFAOYSA-N
Reference
CAS: 1620555-16-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmodium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 410.5580000000002
TPSA？: 65.56
MolLogP？: 4.621100000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|