Sparsiflorine

Details

• Internal ID: 7df93c71-2ef1-4069-beed-9014f0d461b9
• Taxonomy: Alkaloids and derivatives > Aporphines
• IUPAC Name: (6aS)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
• SMILES (Canonical): COC1=C(C2=C3C(CC4=C2C=C(C=C4)O)NCCC3=C1)O
• SMILES (Isomeric): COC1=C(C2=C3[C@H](CC4=C2C=C(C=C4)O)NCCC3=C1)O
• InChI: InChI=1S/C17H17NO3/c1-21-14-7-10-4-5-18-13-6-9-2-3-11(19)8-12(9)16(15(10)13)17(14)20/h2-3,7-8,13,18-20H,4-6H2,1H3/t13-/m0/s1
• InChI Key: LTCVKUADFIKXMF-ZDUSSCGKSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₇NO₃
• Molecular Weight: 283.32 g/mol
• Exact Mass: 283.12084340 g/mol
• Topological Polar Surface Area (TPSA): 61.70 Ų
• XlogP: 2.30

Synonyms

• Apocrotsparine
• (-)-Sparsiflorine
• Sparsiflorine [MI]
• 53EWB5GJ52
• 2128-61-2
• UNII-53EWB5GJ52
• 6aalpha-Noraporphine-1,10-diol, 2-methoxy-
• 4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-, (6aS)
• (6aS)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
• Q27261105
• 6A.ALPHA.-NORAPORPHINE-1,10-DIOL, 2-METHOXY-

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.16%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.37%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	96.84%	91.49%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	95.17%	91.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.67%	97.09%
CHEMBL4208	P20618	Proteasome component C5	92.95%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	92.27%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.02%	86.33%
CHEMBL241	Q14432	Phosphodiesterase 3A	91.67%	92.94%
CHEMBL2581	P07339	Cathepsin D	90.69%	98.95%
CHEMBL3438	Q05513	Protein kinase C zeta	90.22%	88.48%
CHEMBL217	P14416	Dopamine D2 receptor	89.37%	95.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.80%	99.17%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.35%	93.99%
CHEMBL2535	P11166	Glucose transporter	87.25%	98.75%
CHEMBL213	P08588	Beta-1 adrenergic receptor	86.56%	95.56%
CHEMBL2056	P21728	Dopamine D1 receptor	86.44%	91.00%
CHEMBL3231	Q13464	Rho-associated protein kinase 1	86.25%	95.55%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.60%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.80%	89.62%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	83.65%	92.68%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.45%	94.00%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	83.25%	96.21%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.38%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.76%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.42%	94.45%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.39%	91.03%

Plants that contains it

• Alphonsea lutea
• Croton bonplandianus
• Monodora junodii
• Monodora tenuifolia

Cross-Links

• PubChem: 12442918
• LOTUS: LTS0147638
• wikiData: Q27261105