Buxahejramine
AlkaPlorer ID: AK086836
Synonym: ''
IUPAC Name: (2S,3S)-N-[(6S,7S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]-2-hydroxy-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H](O)C(O)=N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO
InChI: InChI=1S/C32H54N2O3/c1-9-20(2)28(36)29(37)33-27-13-10-22-18-23-14-16-31(5)24(21(3)34(7)8)15-17-32(31,6)26(23)12-11-25(22)30(27,4)19-35/h14,18,20-21,24-28,35-36H,9-13,15-17,19H2,1-8H3,(H,33,37)/t20-,21-,24+,25+,26+,27-,28-,30-,31+,32-/m0/s1
InChIKey: OGGNNGIHZJAPJR-MJLUPTTCSA-N
Reference
Acetyl and butyrylcholinesterase-inhibiting triterpenoid alkaloids from Buxus papillosa
PubChem CID: 162963911
LOTUS: LTS0078227
SuperNatural Ⅲ: SN0264611-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus papillosa | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 514.7950000000004
TPSA？: 76.29
MolLogP？: 6.1663000000000086
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|