Cyclovirobuxine C
AlkaPlorer ID: AK015522
Synonym: 'Cyclovirobuxine C', ''
IUPAC Name: (1S,3R,6S,8R,11S,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-(methylamino)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Structure
SMILES: CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C
InChI: InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1
InChIKey: IDOHCEDWHOEHNL-ZUDQDPCPSA-N
Reference
A New Triterpenoid Alkaloid from Buxus sempervirens
PubChem CID: 442973
CAS: 30276-35-8
LOTUS: LTS0154816
SuperNatural Ⅲ: SN0142739-03
NPASS: NPC42045
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus microphylla | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Buxus wallichiana | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Buxus sempervirens | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 416.6940000000002
TPSA？: 35.5
MolLogP？: 4.934400000000005
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|