Buxtauine M
AlkaPlorer ID: AK291368
Synonym: 16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one, Buxtauine, Cyclomicrobuxinine, Cyclobuxoxine
IUPAC Name: 1-[14-hydroxy-12,16-dimethyl-6-(methylamino)-7-methylidene-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethanone
Structure
SMILES: C=C1C(NC)CCC23CC24CCC2(C)C(C(C)=O)C(O)CC2(C)C4CCC13
InChI: InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3
InChIKey: KTASKRCJBXZGMH-UHFFFAOYSA-N
Reference
Triterpenoid Alkaloids from <i>Buxus microphylla</i>
PubChem CID: 265755
CAS: 4236-73-1
LOTUS: LTS0051366
COCONUT: CNP0201170.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus wallichiana | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Buxus sempervirens | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.56500000000017
TPSA？: 49.33
MolLogP？: 4.103300000000004
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|