(-)-Lirinidine

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	38a0707c-afa2-4354-88e0-1ed04c12ca21
Taxonomy	Alkaloids and derivatives > Aporphines
IUPAC Name	(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILES (Canonical)	CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)O)OC
SMILES (Isomeric)	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)O)OC
InChI	InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1
InChI Key	YXVXMURDCBMPRH-CQSZACIVSA-N
Popularity	1 reference in papers

Physical and Chemical Properties

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Molecular Formula	C₁₈H₁₉NO₂
Molecular Weight	281.30 g/mol
Exact Mass	281.141578849 g/mol
Topological Polar Surface Area (TPSA)	32.70 Å²
XlogP	2.60

Synonyms

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(?)-Lirinidine

SCHEMBL4159150

CHEMBL2316500

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.99%	96.09%
CHEMBL2056	P21728	Dopamine D1 receptor	97.09%	91.00%
CHEMBL2581	P07339	Cathepsin D	96.75%	98.95%
CHEMBL217	P14416	Dopamine D2 receptor	96.75%	95.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.76%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	95.39%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.84%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.26%	86.33%
CHEMBL2535	P11166	Glucose transporter	88.62%	98.75%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	87.43%	91.79%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.38%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.31%	89.62%
CHEMBL4208	P20618	Proteasome component C5	86.10%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.32%	85.14%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	85.18%	93.40%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.58%	95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.