Buxasamarine
AlkaPlorer ID: AK046527
Synonym: ''
IUPAC Name: (1R,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-en-14-ol
Structure
SMILES: CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)C=C[C@]45C[C@]35CC[C@]12C
InChI: InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h11-12,17-22,28,30H,9-10,13-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26-,27+/m0/s1
InChIKey: RFIGBNKPBPAHJJ-VIPNJBFVSA-N
Reference
New Steroidal Alkaloids from <i>Buxus</i> <i>longifolia</i>
PubChem CID: 163070372
LOTUS: LTS0067124
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus balearica | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 414.6780000000002
TPSA？: 35.5
MolLogP？: 4.710400000000004
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|