(2R,5S)-2-[(1S)-1-[(1S,2S,7S,10R,11S,14R,15S)-5,5-dimethoxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethyl]-5-methylpiperidine
AlkaPlorer ID: AK263529
Synonym: None
IUPAC Name: (2R,5S)-2-[(1S)-1-[(5S,8R,9S,10S,13S,14S,17R)-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidine
Structure
SMILES: COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H]4CC[C@H](C)CN4)CC[C@@H]32)C1
InChI: InChI=1S/C29H51NO2/c1-19-7-12-26(30-18-19)20(2)23-10-11-24-22-9-8-21-17-29(31-5,32-6)16-15-27(21,3)25(22)13-14-28(23,24)4/h19-26,30H,7-18H2,1-6H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28+/m0/s1
InChIKey: DBJXVOKDPYNCEC-GXFJGWMCSA-N
Reference
Solaquidine, a new steroidal alkaloid from Solanum pseudoquina
PubChem CID: 162868509
LOTUS: LTS0177733
SuperNatural Ⅲ: SN0061234-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum pseudoquina | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 445.73200000000026
TPSA？: 30.49
MolLogP？: 6.658600000000008
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|