Henningsiine; 16-Hydroxy
AlkaPlorer ID: AK192175
Synonym: 16-Hydroxyhenningsiine, 3-Hydroxyhenningsiine
IUPAC Name: 2-hydroxy-1-(20-hydroxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5,7,9,13-tetraen-11-yl)ethanone
Structure
SMILES: CC1OC=C2C3CC4(O)N(CCC45C4=CC=CC=C4N(C(=O)CO)C25)CC13
InChI: InChI=1S/C21H24N2O4/c1-12-14-9-22-7-6-20-16-4-2-3-5-17(16)23(18(25)10-24)19(20)15(11-27-12)13(14)8-21(20,22)26/h2-5,11-14,19,24,26H,6-10H2,1H3
InChIKey: ANOVIMPDPXPRPK-UHFFFAOYSA-N
Reference
Alkaloids from Strychnos henningsii
PubChem CID: 162988151
LOTUS: LTS0153442
COCONUT: CNP0260911
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos henningsii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 73.24000000000001
MolLogP？: 0.9785
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|