Exiguaflavanone G

Details

• Internal ID: d0552a85-332e-4868-9aa0-a58a7bed2ec5
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: 5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C(=C)C)C
• SMILES (Isomeric): CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C(=C)C)C
• InChI: InChI=1S/C25H28O7/c1-12(2)5-6-14(13(3)4)7-16-17(27)10-20(30)24-21(31)11-22(32-25(16)24)23-18(28)8-15(26)9-19(23)29/h5,8-10,14,22,26-30H,3,6-7,11H2,1-2,4H3
• InChI Key: OGLNLIXNHKHDEO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₈O₇
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.18350323 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: 5.40

Synonyms

• LMPK12140485

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	98.63%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.62%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.20%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	93.43%	91.49%
CHEMBL1929	P47989	Xanthine dehydrogenase	92.26%	96.12%
CHEMBL3401	O75469	Pregnane X receptor	89.35%	94.73%
CHEMBL4040	P28482	MAP kinase ERK2	89.14%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.50%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.35%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.46%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.59%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.14%	99.23%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	81.77%	80.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.60%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.77%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.30%	100.00%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	80.11%	96.38%

Plants that contains it

• Sophora exigua

Cross-Links

• PubChem: 42608030
• LOTUS: LTS0134518
• wikiData: Q105191690