Coniochaetone E

Details

• Internal ID: 31a64e95-69b9-4431-810d-e7fd6bd5b35c
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: (1R)-8-hydroxy-1-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
• InChI: InChI=1S/C14H14O4/c1-7-5-8(15)12-11(6-7)18-10-4-3-9(17-2)13(10)14(12)16/h5-6,9,15H,3-4H2,1-2H3/t9-/m1/s1
• InChI Key: USNDHKWGACQPGK-SECBINFHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₄O₄
• Molecular Weight: 246.26 g/mol
• Exact Mass: 246.08920892 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 2.20

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.64%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.28%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.81%	89.00%
CHEMBL2581	P07339	Cathepsin D	91.86%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	91.34%	91.49%
CHEMBL241	Q14432	Phosphodiesterase 3A	89.81%	92.94%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.58%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.90%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	85.65%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.13%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.04%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.42%	95.89%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	81.21%	93.65%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102133482
• LOTUS: LTS0101750
• wikiData: Q75059943