Sanggenone H

Details

• Internal ID: 12fab9b8-722b-484c-a1fb-0b1f05412e40
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: (2S)-5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C
• SMILES (Isomeric): CC1(C=CC2=C(C=CC(=C2O1)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C
• InChI: InChI=1S/C20H18O6/c1-20(2)6-5-11-13(22)4-3-12(19(11)26-20)16-9-15(24)18-14(23)7-10(21)8-17(18)25-16/h3-8,16,21-23H,9H2,1-2H3/t16-/m0/s1
• InChI Key: QPAKXSCQEJXHSW-INIZCTEOSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₈O₆
• Molecular Weight: 354.40 g/mol
• Exact Mass: 354.11033829 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 3.30

Synonyms

• 86450-80-8
• SanggenoneH
• CHEMBL3288838
• HY-N2607
• AKOS037515247
• FS-7138
• CS-0023010
• (2S)-5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.16%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.81%	94.45%
CHEMBL1929	P47989	Xanthine dehydrogenase	96.32%	96.12%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.79%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.95%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.65%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.93%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.74%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.68%	99.15%
CHEMBL4208	P20618	Proteasome component C5	88.29%	90.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.79%	93.40%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.65%	95.89%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	86.61%	95.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.20%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.07%	90.71%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	84.23%	83.10%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.11%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	83.06%	94.73%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	82.80%	85.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.22%	100.00%
CHEMBL2535	P11166	Glucose transporter	80.24%	98.75%

Plants that contains it

• Morus alba
• Ophiorrhiza ferruginea
• Strychnos johnsonii

Cross-Links

• PubChem: 90681446
• LOTUS: LTS0090731
• wikiData: Q105163230