Brasilamide H

Details

• Internal ID: 677c1333-5981-4dbe-936c-59dd031f9ee3
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: (3E)-2-methyl-3-[4-(4-methylidenecyclohexyl)-5-oxofuran-2-ylidene]propanamide
• SMILES (Canonical): CC(C=C1C=C(C(=O)O1)C2CCC(=C)CC2)C(=O)N
• SMILES (Isomeric): CC(/C=C/1\C=C(C(=O)O1)C2CCC(=C)CC2)C(=O)N
• InChI: InChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)13-8-12(19-15(13)18)7-10(2)14(16)17/h7-8,10-11H,1,3-6H2,2H3,(H2,16,17)/b12-7+
• InChI Key: AXKHXUMOECWSPG-KPKJPENVSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261.32 g/mol
• Exact Mass: 261.13649347 g/mol
• Topological Polar Surface Area (TPSA): 69.40 Ų
• XlogP: 2.00

Synonyms

• CHEMBL3581380

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	97.89%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.73%	95.56%
CHEMBL2581	P07339	Cathepsin D	93.54%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.76%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.45%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.17%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.49%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.66%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.70%	95.89%
CHEMBL340	P08684	Cytochrome P450 3A4	82.21%	91.19%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.95%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.01%	97.25%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.15%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 122178809
• LOTUS: LTS0061145
• wikiData: Q75066855