Molecule

Jurubine

AlkaPlorer ID: AK303376

Synonym: None

IUPAC Name: 2-[4-(16-amino-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: CC(CCC1(O)OC2CC3C4CCC5CC(N)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

InChI: InChI=1S/C33H57NO8/c1-17(16-40-30-29(38)28(37)27(36)25(15-35)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(34)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,35-39H,5-16,34H2,1-4H3

InChIKey: YEWUMIMAJWFDQG-UHFFFAOYSA-N

Reference

Jurine, a novel type of steroidal saponin with (25S)-3β-amino-5α-furostane-22α.26-diol O(26)-β-D-glucopyranoside structure from solanum paniculatum L.

PubChem CID: 12304761

CAS: 14256-61-2

LOTUS: LTS0206025

COCONUT: CNP0282478.4

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Solanum paniculatum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum chacoense	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum torvum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 595.8180000000006

TPSA？: 154.86

MolLogP？: 2.538800000000001

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi