Molecule

Pretazettine

AlkaPlorer ID: AK001952

Synonym: '', 'Pretazettine'

IUPAC Name: (1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol

Structure

SMILES: CO[C@@H]1C=C[C@@]23C4=CC5=C(C=C4[C@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5

InChI: InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1

InChIKey: KLJOYDMUWKSYBP-YNBLHMCPSA-N

Reference

Narcissus Alkaloids, XVII. Obesine, a Novel Alkaloid from Narcissus, obesus

PubChem CID: 73360

CAS: 17322-84-8

LOTUS: LTS0219313

SuperNatural Ⅲ: SN0188804-09

NPASS: NPC186601

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ramalina siliquosa	Ramalina	Ramalinaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Corynandra viscosa	Corynandra	Cleomaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dryopteris dilatata	Dryopteris	Dryopteridaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Dalbergia candenatensis	Dalbergia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ligularia altaica	Ligularia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 331.3680000000001

TPSA？: 60.39

MolLogP？: 1.3316999999999997

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Trichomonas vaginalis	Trichomonas vaginalis	Activity	38.0	%	10.1016/j.bmcl.2019.126642