Molecule

Vasicine

AlkaPlorer ID: AK009970

Synonym: None

IUPAC Name: (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol

SMILES: O[C@H]1CCN2CC3=CC=CC=C3N=C12

InChI: InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1

InChIKey: YIICVSCAKJMMDJ-JTQLQIEISA-N

PubChem CID: 667496

CAS: 6159-55-3

LOTUS: LTS0154077

SuperNatural Ⅲ: SN0451223-01

NPASS: NPC283130

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dalbergia variabilis	Dalbergia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Linaria vulgaris	Linaria	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Peganum harmala	Peganum	Nitrariaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sida cordifolia	Sida	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Justicia adhatoda	Justicia	Acanthaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 188.23

TPSA？: 35.83

MolLogP？: 1.2968000000000002

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlamydia pneumoniae	Chlamydia pneumoniae	Inhibition	-1.4	%	10.1021/acs.jnatprod.6b01052
Electrophorus electricus	Acetylcholinesterase	IC50	nan	None	10.1016/j.bmc.2012.09.040
Electrophorus electricus	Acetylcholinesterase	Inhibition	30.11	%	10.1016/j.bmc.2012.09.040
Equus caballus	Cholinesterase	IC50	2530.0	nM	10.1016/j.bmc.2012.09.040
Equus caballus	Cholinesterase	Inhibition	85.7	%	10.1016/j.bmc.2012.09.040
Homo sapiens	Butyrylcholinesterase	IC50	3130.0	nM	10.1016/j.bmc.2012.09.040
Homo sapiens	HL	Activity	102.2	%	10.1021/acs.jnatprod.6b01052
Homo sapiens	HL-60	IC50	nan	None	10.1016/j.bmcl.2017.12.003
Homo sapiens	PC-3	IC50	15410.0	nM	10.1016/j.bmcl.2017.12.003
Homo sapiens	SGC-7901	IC50	nan	None	10.1016/j.bmcl.2017.12.003