Platyphyllide

Details

• Internal ID: d5d02881-c9f7-4aca-acac-8f5e8944e85d
• Taxonomy: Organoheterocyclic compounds > Benzofurans > Benzofuranones
• IUPAC Name: (1R,11R)-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
• SMILES (Isomeric): CC(=C)[C@H]1CCC2=C3[C@@H]1OC(=O)C3=CC=C2
• InChI: InChI=1S/C14H14O2/c1-8(2)10-7-6-9-4-3-5-11-12(9)13(10)16-14(11)15/h3-5,10,13H,1,6-7H2,2H3/t10-,13-/m1/s1
• InChI Key: HPRUINVTECPGHJ-ZWNOBZJWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₄O₂
• Molecular Weight: 214.26 g/mol
• Exact Mass: 214.099379685 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.30

Synonyms

• (1R,11R)-11-prop-1-en-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-one

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
CHEMBL2581	P07339	Cathepsin D	96.59%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	94.43%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.59%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.63%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.78%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.53%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.18%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.82%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.51%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.36%	95.89%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.55%	93.03%

Plants that contains it

• Euryops algoensis
• Ligularia fischeri
• Ligularia przewalskii
• Ligularia veitchiana
• Senecio gilliesianus
• Senecio subulatus

Cross-Links

• PubChem: 10932811
• LOTUS: LTS0265212
• wikiData: Q104397834