(1R,13S,14S,19S,21S)-14-(2-hydroxyethyl)-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2(7),3,5,11-tetraen-9-one
AlkaPlorer ID: AK012816
Synonym: None
IUPAC Name: (1R,13S,14S,19S,21S)-14-(2-hydroxyethyl)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
Structure
SMILES: O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@@]45C4=CC=CC=C4N1[C@@H]25)C[C@H]3CCO
InChI: InChI=1S/C21H24N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,13,15,18,20,24H,6-12H2/t13-,15+,18+,20+,21-/m1/s1
InChIKey: MNDSMOZRDTXEHY-GILOPPEBSA-N
Reference
Alkaloids of Sri Lankan Strychnos nux-vomica
PubChem CID: 162902981
LOTUS: LTS0114001
SuperNatural Ⅲ: SN0230098-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos nux-vomica | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.4350000000001
TPSA？: 43.78
MolLogP？: 2.0761
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|