2-Hydroxplatyphyllide

Details

• Internal ID: 11e79922-9bc6-4cc4-9bad-06b35b95ae99
• Taxonomy: Organoheterocyclic compounds > Benzofurans > Benzofuranones
• IUPAC Name: 6-hydroxy-11-prop-1-en-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-one
• SMILES (Canonical): CC(=C)C1CCC2=C3C1OC(=O)C3=CC(=C2)O
• SMILES (Isomeric): CC(=C)C1CCC2=C3C1OC(=O)C3=CC(=C2)O
• InChI: InChI=1S/C14H14O3/c1-7(2)10-4-3-8-5-9(15)6-11-12(8)13(10)17-14(11)16/h5-6,10,13,15H,1,3-4H2,2H3
• InChI Key: BUSWPFRBQXQTLO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.26 g/mol
• Exact Mass: 230.094294304 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 2.90

Synonyms

• 72145-19-8

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	97.55%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.72%	91.49%
CHEMBL2581	P07339	Cathepsin D	95.66%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.61%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.88%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.95%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.78%	89.00%
CHEMBL217	P14416	Dopamine D2 receptor	85.77%	95.62%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.76%	100.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.66%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.54%	99.23%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.87%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.36%	92.94%

Plants that contains it

• Ligularia dentata
• Ligularia fischeri

Cross-Links

• PubChem: 14681767
• LOTUS: LTS0197062
• wikiData: Q104946299