Delavinone
AlkaPlorer ID: AK015767
Synonym: '', 'Ebinone', '20,22-Diepisinpeinine A', '20-Epieduardine', 'Puqiedinone', '(-)-Songbeinone', 'Zhebeirine', 'Ebeiedinone', 'Sinpeinine A', 'Hupehenirine', 'Dongbeinine', 'Songbeinone', 'Chuanbeinone', 'Eduardine'
IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Structure
SMILES: C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1
InChI: InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/t15-,16-,17-,18+,19+,20+,21-,22+,23-,24+,25-,27+/m0/s1
InChIKey: MWBJDDYEYGDWCZ-LZCHMAFYSA-N
Reference
Steroidal alkaloids from Fritillaria thunbergii var. chekiangensis
PubChem CID: 127031870
LOTUS: LTS0155655
SuperNatural Ⅲ: SN0236944-25
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria thunbergii | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 413.6460000000002
TPSA？: 40.54
MolLogP？: 4.771400000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Trachea | Activity | 0.54 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 0.55 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 0.56 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 0.59 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 2.16 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 2.18 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 2.2 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 2.21 | g | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 2.9 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 3.2 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 3.9 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 5.3 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 5.7 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 12.2 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 16.3 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 17.9 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 19.5 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 19.8 | % | 10.1016/j.bmcl.2016.03.001 |
| Rattus norvegicus | Trachea | Activity | 20.9 | % | 10.1016/j.bmcl.2016.03.001 |