Periconianone B

Details

• Internal ID: 17c4bf59-581a-4c06-ab95-a1effc10f72d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
• IUPAC Name: (2R)-2-[(2S,8S,8aR)-8,8a-dimethyl-3,7-dioxo-2,8-dihydro-1H-naphthalen-2-yl]propanoic acid
• InChI: InChI=1S/C15H18O4/c1-8(14(18)19)11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)17/h4-6,8-9,11H,7H2,1-3H3,(H,18,19)/t8-,9-,11+,15-/m1/s1
• InChI Key: KPMUWCKKPUHCGG-LIEMUPCESA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30 g/mol
• Exact Mass: 262.12050905 g/mol
• Topological Polar Surface Area (TPSA): 71.40 Ų
• XlogP: 1.40

Synonyms

• CHEMBL3753914

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.72%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.35%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.32%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.72%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	91.66%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.79%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.70%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.42%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.58%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.16%	90.71%
CHEMBL4208	P20618	Proteasome component C5	80.74%	90.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.28%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102231299
• LOTUS: LTS0216789
• wikiData: Q105144283