2-hydroxy-1-[(4R,12R,16R,17S,18S,20S)-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5(10),6,8,13-tetraen-11-yl]ethanone
AlkaPlorer ID: AK148624
Synonym: None
IUPAC Name: 2-hydroxy-1-[(4R,12R,16R,17S,18S,20S)-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: C[C@H]1OC=C2[C@H]3C[C@@H]4N(CC[C@@]45C4=CC=CC=C4N(C(=O)CO)[C@@H]25)C[C@H]31
InChI: InChI=1S/C21H24N2O3/c1-12-14-9-22-7-6-21-16-4-2-3-5-17(16)23(19(25)10-24)20(21)15(11-26-12)13(14)8-18(21)22/h2-5,11-14,18,20,24H,6-10H2,1H3/t12-,13+,14+,18+,20+,21-/m1/s1
InChIKey: KOFCAAIDDSFWTB-MEQFOAKYSA-N
Reference
Alkaloids from Strychnos henningsii
PubChem CID: 162910829
LOTUS: LTS0009635
SuperNatural Ⅲ: SN0190904-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos henningsii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.43400000000014
TPSA？: 53.010000000000005
MolLogP？: 1.6585
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|