Spirostan-3-amine; (3β,5α,25S)-form
AlkaPlorer ID: AK314105
Synonym: Jurubidine
IUPAC Name: 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-amine
Structure
SMILES: CC1CCC2(OC1)OC1CC3C4CCC5CC(N)CCC5(C)C4CCC3(C)C1C2C
InChI: InChI=1S/C27H45NO2/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24H,5-15,28H2,1-4H3
InChIKey: BADUKLRFTFBRSD-UHFFFAOYSA-N
Reference
Juripidine, a 3-amino steroidal alkaloid from roots of Solanum hispidum
PubChem CID: 539660
LOTUS: LTS0174571
COCONUT: CNP0295659.4
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum paniculatum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.66200000000026
TPSA？: 44.48
MolLogP？: 5.7602000000000055
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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