5,17-Dimethoxy-11-methyl-11-oxido-2-oxa-11-azoniatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-4-ol

Details

• Internal ID: c152cb2f-c356-47a9-9993-da9cba01ee24
• Taxonomy: Alkaloids and derivatives > Cularin alkaloids and derivatives
• IUPAC Name: 5,17-dimethoxy-11-methyl-11-oxido-2-oxa-11-azoniatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-4-ol
• InChI: InChI=1S/C19H21NO5/c1-20(22)9-8-11-4-7-15(24-3)19-16(11)13(20)10-12-5-6-14(23-2)17(21)18(12)25-19/h4-7,13,21H,8-10H2,1-3H3
• InChI Key: SUTPKKPHQKUBNR-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₁NO₅
• Molecular Weight: 343.40 g/mol
• Exact Mass: 343.14197277 g/mol
• Topological Polar Surface Area (TPSA): 66.00 Ų
• XlogP: 2.40

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.28%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	94.16%	92.94%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.79%	94.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	92.40%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.09%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.53%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.67%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.51%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.39%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.74%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	82.41%	91.49%
CHEMBL2581	P07339	Cathepsin D	82.23%	98.95%

Plants that contains it

• Sarcocapnos baetica

Cross-Links

• PubChem: 14337181
• LOTUS: LTS0128525
• wikiData: Q105261454