Bohemamine H

Details

• Internal ID: 54b8f96f-83f4-4fb0-9e59-c1e3f159f6f5
• Taxonomy: Organoheterocyclic compounds > Pyrrolizines
• IUPAC Name: (E)-N-[(5S,8S)-5,8-dimethyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-2-methylbut-2-enamide
• InChI: InChI=1S/C14H20N2O2/c1-5-9(2)13(18)15-12-8-11(17)14(4)7-6-10(3)16(12)14/h5,8,10H,6-7H2,1-4H3,(H,15,18)/b9-5+/t10-,14-/m0/s1
• InChI Key: RAMNPSVQNJYJDW-ZICUJGQLSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀N₂O₂
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.152477885 g/mol
• Topological Polar Surface Area (TPSA): 49.40 Ų
• XlogP: 1.90

Synonyms

• CHEMBL3818664

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	94.09%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.62%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.44%	89.00%
CHEMBL340	P08684	Cytochrome P450 3A4	85.43%	91.19%
CHEMBL1859	O95180	Voltage-gated T-type calcium channel alpha-1H subunit	85.40%	98.57%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.91%	82.69%
CHEMBL221	P23219	Cyclooxygenase-1	84.64%	90.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.53%	99.23%
CHEMBL2581	P07339	Cathepsin D	83.04%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.46%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.37%	95.56%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.17%	94.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.32%	100.00%
CHEMBL1871	P10275	Androgen Receptor	80.33%	96.43%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 127050626
• LOTUS: LTS0111533
• wikiData: Q105232701