Methyllycaconitine
AlkaPlorer ID: AK018128
Synonym: ''
IUPAC Name: [(2R,3R,5S,6S,8R,9R,10R,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-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(OC)C34[C@@H]5C[C@@H]6C(OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@H]13)[C@@H](OC)[C@@H]42
InChI: InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22+,24-,25?,27+,28?,29+,30-,33+,34-,35+,36?,37-/m0/s1
InChIKey: XLTANAWLDBYGFU-CBZNYASWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Swertia leducii | Swertia | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Delphinium elatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.8110000000004
TPSA？: 144.3
MolLogP？: 2.035100000000002
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|