Cyclovirobuxeine A
AlkaPlorer ID: AK027212
Synonym: ''
IUPAC Name: (1S,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol
Structure
SMILES: C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C
InChI: InChI=1S/C28H48N2O/c1-18(29(6)7)23-19(31)16-26(5)21-11-10-20-24(2,3)22(30(8)9)12-13-27(20)17-28(21,27)15-14-25(23,26)4/h10-11,18-23,31H,12-17H2,1-9H3/t18-,19+,20-,21-,22-,23-,25+,26-,27+,28-/m0/s1
InChIKey: UVWOWJBPZRXVCO-FUWUEERMSA-N
Reference
Buxus Alkaloids. X.<sup>1</sup> The Isolation and Constitution of Cyclovirobuxeine-B<sup>2</sup>
PubChem CID: 384607
CAS: 7727-91-5
LOTUS: LTS0258090
SuperNatural Ⅲ: SN0381538-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus papillosa | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 428.7050000000004
TPSA？: 26.71
MolLogP？: 5.052600000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|