Furowanin B

Details

• Internal ID: d517889d-07f5-4fc7-a790-6d7721a7c643
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
• IUPAC Name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one
• InChI: InChI=1S/C25H26O7/c1-12(2)5-7-14-21(28)20-22(29)16(13-6-8-17(26)18(27)9-13)11-31-24(20)15-10-19(25(3,4)30)32-23(14)15/h5-6,8-9,11,19,26-28,30H,7,10H2,1-4H3
• InChI Key: YOKJEIDBLPWOSL-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₇
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.16785316 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 4.60

Synonyms

• CHEBI:65934
• RefChem:921949
• GlyTouCan:G25718CN
• G25718CN
• (+/-)-Furowanin B
• CHEMBL491885
• DTXSID701101555
• BDBM50250234
• 874303-35-2
• Q27134433
• (+)-3-(3,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-2-buten-1-yl)-4H-furo[2,3-h]-1-benzopyran-4-one
• 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-en-1-yl)-8,9-dihydro-4H-furo[2,3-h]chromen-4-one
• 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL206	P03372	Estrogen receptor alpha	13000 nM	IC50	PMID: 16441086

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.78%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.53%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	97.17%	91.49%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	95.97%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	93.96%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.61%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.47%	86.33%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	91.27%	98.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.76%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.84%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.20%	99.15%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.79%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.01%	94.45%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	83.72%	88.84%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.38%	95.56%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	81.52%	95.78%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.99%	100.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.67%	92.62%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.30%	97.09%

Plants that contains it

• Derris taiwaniana

Cross-Links

• PubChem: 11655056
• NPASS: NPC328102
• ChEMBL: CHEMBL491885
• LOTUS: LTS0242965
• wikiData: Q27134433