Norpandamarilactonine B

Details

• Internal ID: e25a81eb-784b-478e-b90e-3b66f5da9937
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: (2S)-4-methyl-2-[(2S)-pyrrolidin-2-yl]-2H-furan-5-one
• InChI: InChI=1S/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3/t7-,8-/m0/s1
• InChI Key: LJJVKZSKPLBBSU-YUMQZZPRSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.20 g/mol
• Exact Mass: 167.094628657 g/mol
• Topological Polar Surface Area (TPSA): 38.30 Ų
• XlogP: 0.80

Synonyms

• (2S)-4-methyl-2-[(2S)-pyrrolidin-2-yl]-2H-furan-5-one
• InChI=1/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3/t7-,8-/m0/s

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
CHEMBL3137262	O60341	LSD1/CoREST complex	94.39%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.62%	95.56%
CHEMBL2581	P07339	Cathepsin D	86.62%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	86.56%	94.75%
CHEMBL3401	O75469	Pregnane X receptor	86.39%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.07%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.13%	97.25%
CHEMBL230	P35354	Cyclooxygenase-2	81.91%	89.63%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	80.50%	86.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.38%	100.00%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	80.14%	90.93%

Plants that contains it

• Pandanus amaryllifolius

Cross-Links

• PubChem: 11073796
• LOTUS: LTS0084787
• wikiData: Q105152629