(12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-ium-11-olate
AlkaPlorer ID: AK466505
Synonym: None
IUPAC Name: (12R)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Structure
SMILES: C[N+]1([O-])CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2C[C@H]31
InChI: InChI=1S/C18H17NO3/c1-19(20)7-6-12-9-15-18(22-10-21-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-,19?/m1/s1
InChIKey: NHRRLWUDUAIRAB-MJTSIZKDSA-N
Reference
Chemical investigation of drug-like compounds from the Australian tree, Neolitsea dealbata
PubChem CID: 73348116
LOTUS: LTS0168142
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neolitsea dealbata | Neolitsea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.3380000000001
TPSA？: 41.52
MolLogP？: 3.1800000000000024
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|