Molecule

Crispine A

AlkaPlorer ID: AK084953

Synonym: '(+)-Crispine A', '(R)-(+)-Cryspine A', 'Crispine A'

IUPAC Name: (10bR)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

SMILES: COC1=CC2=C(C=C1OC)[C@H]1CCCN1CC2

InChI: InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3/t12-/m1/s1

InChIKey: MVIOZTSBCZNBFR-GFCCVEGCSA-N

PubChem CID: 11673094

LOTUS: LTS0053156

SuperNatural Ⅲ: SN0236361-01

NPASS: NPC265171

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tsuga diversifolia	Tsuga	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Veronica persica	Veronica	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia sieboldiana	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vismia orientalis	Vismia	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cucumis myriocarpus	Cucumis	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tripterygium regelii	Tripterygium	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium meleagrinum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Narthecium asiaticum	Narthecium	Nartheciaceae	Dioscoreales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stachyurus himalaicus	Stachyurus	Stachyuraceae	Crossosomatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Passiflora edulis	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clostridium butyricum	Clostridium	Clostridiaceae	Eubacteriales	Clostridia	Bacillota	None	Bacteria
Angylocalyx braunii	Angylocalyx	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vernonanthura pinguis	Vernonanthura	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Passiflora foetida	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Archidendron lucidum	Archidendron	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 233.31099999999992

TPSA？: 21.700000000000003

MolLogP？: 2.3968000000000007

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	EC50	100000.0	nM	10.1021/acs.jmedchem.7b01895
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	IC50	100000.0	nM	10.1021/acs.jmedchem.7b01895
Mus musculus	Nicotinic acetylcholine receptor alpha-4/beta-2	IC50	16000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	IC50	100000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	Ki	100000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Ki	2500.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta4	Ki	100000.0	nM	10.1021/acs.jmedchem.7b01895