Multiflorine

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	5f1bc683-1da7-492b-8e99-8550de381c5b
Taxonomy	Organoheterocyclic compounds > Quinolizidines
IUPAC Name	(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
SMILES (Canonical)	C1CCN2CC3CC(C2C1)CN4C3CC(=O)C=C4
SMILES (Isomeric)	C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC(=O)C=C4
InChI	InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14-,15+/m0/s1
InChI Key	HQSKZPOVBDNEGN-NZBPQXDJSA-N
Popularity	4 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₅H₂₂N₂O
Molecular Weight	246.35 g/mol
Exact Mass	246.173213330 g/mol
Topological Polar Surface Area (TPSA)	23.60 Å²
XlogP	1.50

Synonyms

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529-80-6

70G8C30AVF

(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one

(-)-multiflorine

7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-one, 1,7,7a,8,9,10,11,13,14,14a-decahydro-, (7S,7aS,14S,14aR)-

UNII-70G8C30AVF

MULTIFLORINE, (-)-

CHEMBL517095

SCHEMBL4364625

(7S,7AS,14S,14AR)-1,7,7A,8,9,10,11,13,14,14A-DECAHYDRO-7,14-METHANO-2H,6H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-2-ONE

There are more than 10 synonyms. If you wish to see them all click here.

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.00%	97.25%
CHEMBL1978	P11511	Cytochrome P450 19A1	92.65%	91.76%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.43%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.54%	95.56%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	86.88%	82.69%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.71%	93.04%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.03%	96.09%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	85.22%	93.03%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.15%	90.71%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	83.68%	98.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.55%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.21%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.05%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.59%	91.11%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	80.64%	83.57%
CHEMBL2581	P07339	Cathepsin D	80.33%	98.95%
CHEMBL308	P06493	Cyclin-dependent kinase 1	80.17%	91.73%

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.

Adenocarpus hispanicus

Lupinus albescens

Lupinus albus

Lupinus albus subsp. albus

Lupinus angustifolius