Molecule

Sanguinine

AlkaPlorer ID: AK007892

Synonym: None

IUPAC Name: (1S,12S,14R)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-diol

SMILES: CN1CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C(O)C=CC(=C23)C1

InChI: InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1

InChIKey: OYSGWKOGUVOGFQ-RBOXIYTFSA-N

PubChem CID: 443722

CAS: 60755-80-8

LOTUS: LTS0170145

SuperNatural Ⅲ: SN0278700-04

NPASS: NPC18402

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Zephyranthes candida	Zephyranthes	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pittosporum eugenioides	Pittosporum	Pittosporaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pteroxygonum giraldii	Pteroxygonum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stereocaulon dactylophyllum	Stereocaulon	Stereocaulaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Erythropodium caribaeorum	Erythropodium	Alcyoniidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota

Molecule Weight: 273.332

TPSA？: 52.93000000000001

MolLogP？: 1.5473

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Electrophorus electricus	Acetylcholinesterase	Inhibition	nan	%	10.1021/acs.jnatprod.5b00681
Homo sapiens	Acetylcholinesterase	IC50	100.0	nM	10.1016/j.ejmech.2020.112792
Homo sapiens	Acetylcholinesterase	IC50	100.0	nM	10.1021/np0702077
Leishmania donovani	Leishmania donovani	IC50	30.0	ug.mL-1	10.1016/j.bmcl.2019.126642
Mus musculus	RAW264.7	Inhibition	nan	%	10.1021/acs.jnatprod.5b00681
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	22.5	ug.mL-1	10.1016/j.bmcl.2019.126642
Trypanosoma cruzi	Trypanosoma cruzi	IC50	30.0	ug.mL-1	10.1016/j.bmcl.2019.126642