Platyphyllonol

Details

• Internal ID: 48028c97-f369-456c-8020-17603a068b91
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids
• IUPAC Name: (5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
• SMILES (Canonical): C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1CC[C@H](CC(=O)CCC2=CC=C(C=C2)O)O)O
• InChI: InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m1/s1
• InChI Key: ZBFSUZGUYFFWGY-GOSISDBHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₂O₄
• Molecular Weight: 314.40 g/mol
• Exact Mass: 314.15180918 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 2.80

Synonyms

• 41137-85-3
• AKOS040763418
• 257301-36-3

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	95.90%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.68%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.30%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.78%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.32%	94.45%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	86.76%	100.00%
CHEMBL3437	Q16853	Amine oxidase, copper containing	85.88%	94.00%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	84.51%	94.62%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	84.25%	85.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.51%	100.00%
CHEMBL2535	P11166	Glucose transporter	81.32%	98.75%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.22%	90.71%

Plants that contains it

• Alnus japonica
• Lanxangia tsaoko

Cross-Links

• PubChem: 92448097
• LOTUS: LTS0196445
• wikiData: Q105370573