Tubasenecine
AlkaPlorer ID: AK109819
Synonym: ''
IUPAC Name: [(3S)-4-acetyloxy-4-methyl-1-[(2S,3S)-2-methyl-3-[[4-[2-(3-methylbut-2-enoylamino)ethyl]phenoxy]methyl]oxiran-2-yl]pentan-3-yl] acetate
Structure
SMILES: CC(=O)O[C@@H](CC[C@]1(C)O[C@H]1COC1=CC=C(CCN=C(O)C=C(C)C)C=C1)C(C)(C)OC(C)=O
InChI: InChI=1S/C27H39NO7/c1-18(2)16-25(31)28-15-13-21-8-10-22(11-9-21)32-17-24-27(7,35-24)14-12-23(33-19(3)29)26(5,6)34-20(4)30/h8-11,16,23-24H,12-15,17H2,1-7H3,(H,28,31)/t23-,24-,27-/m0/s1
InChIKey: KKYDPPWGPQTTKD-DPZBCOQUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum tuberculatum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 489.6090000000003
TPSA？: 106.95000000000002
MolLogP？: 4.741700000000004
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|