S-Dihydrowogonin

Details

• Internal ID: 6e8e8ffd-91ff-46b1-b8b2-a642dc365252
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: (2S)-5,7-dihydroxy-8-methoxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)O
• SMILES (Isomeric): COC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=CC=C3)O)O
• InChI: InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1
• InChI Key: FKAOWOSRYSMEBS-ZDUSSCGKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 2.70

Synonyms

• 8-methoxypinocembrin
• DTXSID501317318
• (S)-5,7-Dihydroxy-8-methoxy-2-phenylchroman-4-one
• CU5

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	98.67%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.52%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.82%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.52%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.18%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.44%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.75%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.67%	99.15%
CHEMBL2535	P11166	Glucose transporter	83.04%	98.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.42%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.67%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.66%	94.00%

Plants that contains it

• Helichrysum cymosum
• Isodon oresbius
• Piper bowiei
• Prunus avium
• Pyracantha coccinea

Cross-Links

• PubChem: 10265977
• LOTUS: LTS0269435
• wikiData: Q104996448