Mucusisoflavone C

Details

• Internal ID: 01d20a27-d607-4621-b591-5b64b3d2eee5
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
• IUPAC Name: 8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
• InChI: InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
• InChI Key: HCKWMBTVENMFOU-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₃₄O₁₀
• Molecular Weight: 674.70 g/mol
• Exact Mass: 674.21519728 g/mol
• Topological Polar Surface Area (TPSA): 174.00 Ų
• XlogP: 8.70

Synonyms

• CHEBI:69743
• 8-(1-(5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl)-3-methylbut-2-enyl)-5,7-dihydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)chromen-4-one
• 8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
• RefChem:159986
• CHEMBL1812485
• Mucusisoflavone
• SCHEMBL30017724
• BDBM50349974
• Q27138088
• 8-[1-[5-(5,7-dihydroxy-4-oxo-chromen-3-yl)-2-hydroxy-phenyl]-3-methyl-but-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
• 8-{1-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl]-3-methylbut-2-en-1-yl}-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-1-benzopyran-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	99.37%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.93%	98.95%
CHEMBL1929	P47989	Xanthine dehydrogenase	98.84%	96.12%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.39%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.23%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	91.44%	94.73%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	91.05%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.34%	99.15%
CHEMBL3922	P50579	Methionine aminopeptidase 2	87.77%	97.28%
CHEMBL3194	P02766	Transthyretin	87.44%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.06%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.61%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.55%	95.56%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	81.26%	93.10%
CHEMBL4208	P20618	Proteasome component C5	80.81%	90.00%
CHEMBL3038469	P24941	CDK2/Cyclin A	80.80%	91.38%

Plants that contains it

• Ficus mucuso

Cross-Links

• PubChem: 53344647
• NPASS: NPC324447
• ChEMBL: CHEMBL1812485
• LOTUS: LTS0215674
• wikiData: Q27138088