Molecule

(-)-3beta-Hydroxy-13alpha-tigloyloxylupanine

AlkaPlorer ID: AK041736

Synonym: ''

IUPAC Name: [(1S,2S,4S,9S,10R,13S)-13-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(\C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)[C@@H](O)CC[C@H]34)[C@@H]2C1

InChI: InChI=1S/C20H30N2O4/c1-3-12(2)20(25)26-15-6-7-21-10-13-8-14(17(21)9-15)11-22-16(13)4-5-18(23)19(22)24/h3,13-18,23H,4-11H2,1-2H3/b12-3+/t13-,14-,15-,16+,17-,18-/m0/s1

InChIKey: LEXUKDMOLAWKPB-CGMHSYBQSA-N

Reference

Distribution and taxonomic significance of major alkaloids in the genus Podalyria

PubChem CID: 14589027

LOTUS: LTS0150563

SuperNatural Ⅲ: SN0203609-03

NPASS: NPC60278

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Brickellia cylindracea	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria medicaginea	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rubus lambertianus	Rubus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fritillaria stenanthera	Fritillaria	Liliaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cytisus scoparius	Cytisus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Yucca recurvifolia	Yucca	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 362.4700000000001

TPSA？: 70.08

MolLogP？: 1.3303999999999994

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi