Sophoraflavanone H

Details

• Internal ID: ebe6a2b8-04e0-4670-80af-324cd18263b2
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: (2S)-2-[(2R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC4=C(C=C3O)OC(C4C5=CC(=CC(=C5)O)O)C6=CC=C(C=C6)O)C
• SMILES (Isomeric): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC4=C(C=C3O)O[C@H](C4C5=CC(=CC(=C5)O)O)C6=CC=C(C=C6)O)C
• InChI: InChI=1S/C34H30O9/c1-16(2)3-8-22-25(38)13-27(40)32-28(41)15-29(43-34(22)32)23-12-24-30(14-26(23)39)42-33(17-4-6-19(35)7-5-17)31(24)18-9-20(36)11-21(37)10-18/h3-7,9-14,29,31,33,35-40H,8,15H2,1-2H3/t29-,31?,33-/m0/s1
• InChI Key: LERWTIGGXDMTNB-FMVGUACGSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₄H₃₀O₉
• Molecular Weight: 582.60 g/mol
• Exact Mass: 582.18898253 g/mol
• Topological Polar Surface Area (TPSA): 157.00 Ų
• XlogP: 6.20

Synonyms

• NSC647942
• NSC-647942

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	99.33%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.39%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.87%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.96%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	92.58%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.54%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	92.13%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.87%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.39%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.29%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	87.13%	95.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.50%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.43%	99.23%
CHEMBL4208	P20618	Proteasome component C5	84.49%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.65%	99.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.08%	95.89%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.92%	93.40%
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	80.86%	96.37%
CHEMBL240	Q12809	HERG	80.54%	89.76%

Plants that contains it

• Sophora davidii
• Sophora leachiana
• Sophora moorcroftiana
• Sophora stenophylla

Cross-Links

• PubChem: 372582
• LOTUS: LTS0051930
• wikiData: Q105150760