Anthranoyllycoctonine
AlkaPlorer ID: AK010934
Synonym: '', '(11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo7.7.2.1~2,5~.0~1,10~.0~3,8~.0~13,17~nonadec-13-yl)methyl 2-aminobenzoate', 'Anthranoyllycoctonine', 'MLSMR', 'Inuline', 'SMR000163714', 'MLS000324914'
IUPAC Name: [(2R,3R,4S,5R,6S,8R,13S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N)CCC(OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
InChI: InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22?,23-,24+,25-,26+,28?,29+,30-,31?,32?/m1/s1
InChIKey: NNDHDYDFEDRMGH-MVWZWCQKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium barbeyi | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum leucostomum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 586.7260000000002
TPSA？: 132.94000000000003
MolLogP？: 1.7179000000000022
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|