Buxaquamarine
AlkaPlorer ID: AK097535
Synonym: '(+)-Buxaquamarine'
IUPAC Name: 1-[(6R,7S,10S,11R,14R,15S,20S)-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl]ethanone
Structure
SMILES: CC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C
InChI: InChI=1S/C26H39NO2/c1-17(28)20-11-13-26(4)22-8-7-21-18(14-19(22)10-12-25(20,26)3)6-9-23-24(21,2)15-29-16-27(23)5/h10,14,20-23H,6-9,11-13,15-16H2,1-5H3/t20-,21-,22-,23+,24+,25-,26+/m1/s1
InChIKey: DCONXLQPDFRUCW-RITNPWDASA-N
Reference
Steroidal alkaloids from Buxus sempervirens
PubChem CID: 101429599
LOTUS: LTS0057972
SuperNatural Ⅲ: SN0062154-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus balearica | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.6030000000002
TPSA？: 29.540000000000003
MolLogP？: 5.368900000000005
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|