Menisperine

Details

• Internal ID: 81fddd67-d711-4e1c-a9e0-a336df487b4b
• Taxonomy: Alkaloids and derivatives > Aporphines
• IUPAC Name: 1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
• SMILES (Canonical): C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C
• SMILES (Isomeric): C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C
• InChI: InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1
• InChI Key: XQINTCORIZHGFD-UHFFFAOYSA-O
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₆NO₄+
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.18618331 g/mol
• Topological Polar Surface Area (TPSA): 47.90 Ų
• XlogP: 3.10

Synonyms

• Menispermine
• CHEMBL175775
• 1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3192	Q9BY41	Histone deacetylase 8	98.67%	93.99%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.54%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.39%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.07%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	92.35%	91.49%
CHEMBL241	Q14432	Phosphodiesterase 3A	92.10%	92.94%
CHEMBL217	P14416	Dopamine D2 receptor	90.16%	95.62%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	89.85%	91.79%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.39%	95.56%
CHEMBL1163125	O60885	Bromodomain-containing protein 4	89.12%	97.31%
CHEMBL3438	Q05513	Protein kinase C zeta	88.14%	88.48%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.04%	95.89%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.00%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.38%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.57%	86.33%
CHEMBL2535	P11166	Glucose transporter	85.00%	98.75%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.79%	89.62%
CHEMBL2056	P21728	Dopamine D1 receptor	84.39%	91.00%
CHEMBL2581	P07339	Cathepsin D	83.35%	98.95%
CHEMBL213	P08588	Beta-1 adrenergic receptor	83.14%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.77%	97.09%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	81.31%	95.78%
CHEMBL261	P00915	Carbonic anhydrase I	81.30%	96.76%

Plants that contains it

• Cryptocarya mandioccana
• Magnolia grandiflora
• Nandina domestica
• Penianthus zenkeri
• Phellodendron amurense
• Rhigiocarya racemifera
• Stephania cephalantha
• Tinospora sagittata
• Zanthoxylum nitidum

Cross-Links

• PubChem: 30358
• NPASS: NPC306555
• ChEMBL: CHEMBL175775
• LOTUS: LTS0076303
• wikiData: Q104201248