Antiarone G

Details

• Internal ID: 051b13b7-03c4-4dc4-84b9-65c40ba4e02d
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones
• IUPAC Name: 5,7-dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C=CC(=C1OC)O)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC(=C1OC)O)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
• InChI: InChI=1S/C26H30O6/c1-14(2)6-8-17-16(10-11-19(27)25(17)31-5)23-13-22(30)24-21(29)12-20(28)18(26(24)32-23)9-7-15(3)4/h6-7,10-12,23,27-29H,8-9,13H2,1-5H3
• InChI Key: CINHWJPZQLFMBC-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₀O₆
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.20423867 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 6.20

Synonyms

• 130756-20-6
• 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl)-8-((E)-3-methyl-but-2-enyl)-1-benzopyran-4-one
• 5,7-Dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-8-((E)-3-methyl-but-2-enyl)-1-benzopyran-4-one
• DTXSID00926892
• 5,7-Dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
• 5,7-dihydroxy-2-[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-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	99.40%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.61%	94.45%
CHEMBL2581	P07339	Cathepsin D	92.41%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.15%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.74%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	91.03%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.97%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.80%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.35%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.63%	99.17%
CHEMBL2535	P11166	Glucose transporter	86.11%	98.75%
CHEMBL1929	P47989	Xanthine dehydrogenase	85.02%	96.12%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.72%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.18%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.93%	99.23%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.60%	92.62%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.22%	93.40%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.33%	89.00%

Plants that contains it

• Antiaris toxicaria

Cross-Links

• PubChem: 480772
• LOTUS: LTS0272362
• wikiData: Q82901497