Schizanthine B
AlkaPlorer ID: AK047678
Synonym: ''
IUPAC Name: 1-O-[(1R,3S,5S,6R)-8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 4-O-[(1S,3R,5R,6S)-8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (Z)-2-methylbut-2-enedioate
Structure
SMILES: CC(C)=CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C(/C)C(=O)O[C@H]3C[C@@H]4C[C@@H](OC(=O)C=C(C)C)[C@H](C3)N4C)C[C@H]1N2C
InChI: InChI=1S/C31H44N2O8/c1-17(2)8-28(34)40-26-13-20-11-22(15-24(26)32(20)6)38-30(36)10-19(5)31(37)39-23-12-21-14-27(25(16-23)33(21)7)41-29(35)9-18(3)4/h8-10,20-27H,11-16H2,1-7H3/b19-10-/t20-,21+,22+,23-,24+,25-,26-,27+/m0/s1
InChIKey: ZDZMTNGYZHLLRC-YKMOHRIPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus pinnatus | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 572.6990000000002
TPSA？: 111.68
MolLogP？: 3.245300000000002
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|