(9R)-3,4-dihydroxy-15,16-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium
AlkaPlorer ID: AK345385
Synonym: None
IUPAC Name: (6aR)-1,2-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10,11-diol
Structure
SMILES: COC1=CC2=C3C(=C1OC)C1=C(O)C(O)=CC=C1C[C@H]3[N+](C)(C)CC2
InChI: InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(22)19(23)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m1/s1
InChIKey: BNLBUVFPTCUHTE-CYBMUJFWSA-O
Reference
Alkaloids of thalictrum orientale growing in Turkey
PubChem CID: 163190058
LOTUS: LTS0120409
SuperNatural Ⅲ: SN0030311-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella sativa | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 342.41500000000013
TPSA？: 58.92
MolLogP？: 3.011700000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|