Molecule

Undulatine

AlkaPlorer ID: AK018153

Synonym: '', 'Undulatin', 'Ungeremine'

IUPAC Name: (1S,13R,15R,16S,18R)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene

Structure

SMILES: COC1=C2CN3CC[C@@]4(C2=CC2=C1OCO2)[C@H]1O[C@H]1[C@H](OC)C[C@@H]34

InChI: InChI=1S/C18H21NO5/c1-20-11-6-13-18(17-16(11)24-17)3-4-19(13)7-9-10(18)5-12-15(14(9)21-2)23-8-22-12/h5,11,13,16-17H,3-4,6-8H2,1-2H3/t11-,13-,16+,17+,18+/m1/s1

InChIKey: XHXKHSUJQVCHTA-NWVCDLTISA-N

Reference

Further alkaloids from Brunsvigia josephinae

PubChem CID: 3083985

CAS: 6882-09-3

LOTUS: LTS0266360

SuperNatural Ⅲ: SN0430659-03

NPASS: NPC231363

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Coryphantha cornifera	Coryphantha	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dorstenia turbinata	Dorstenia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alternanthera philoxeroides	Alternanthera	Amaranthaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dermocybe sanguinea	Dermocybe	Cortinariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Tanacetum cinerariifolium	Tanacetum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Machaerium opacum	Machaerium	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phacelocarpus peperocarpos	Phacelocarpus	Phacelocarpaceae	Gigartinales	Florideophyceae	Rhodophyta	None	Eukaryota
Psorothamnus arborescens	Psorothamnus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia pygmaea	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 331.36800000000005

TPSA？: 52.69

MolLogP？: 1.4357

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Leishmania donovani	Leishmania donovani	IC50	100.0	ug.mL-1	10.1016/j.bmcl.2019.126642
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	15.05	ug.mL-1	10.1016/j.bmcl.2019.126642
Trypanosoma cruzi	Trypanosoma cruzi	IC50	56.0	ug.mL-1	10.1016/j.bmcl.2019.126642