Eryzerin E

Details

• Internal ID: 7f03ed41-8fb1-4c5a-b69c-2333381b06bf
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
• IUPAC Name: (6aS,11aS)-9-methoxy-4,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
• SMILES (Canonical): CC(=CCC1=C(C=CC2=C1OCC3(C2OC4=C3C=CC(=C4CC=C(C)C)OC)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC2=C1OC[C@@]3([C@H]2OC4=C3C=CC(=C4CC=C(C)C)OC)O)O)C
• InChI: InChI=1S/C26H30O5/c1-15(2)6-8-17-21(27)12-10-19-23(17)30-14-26(28)20-11-13-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
• InChI Key: XOWMUIMFYAHWQD-IZZNHLLZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₀O₅
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.20932405 g/mol
• Topological Polar Surface Area (TPSA): 68.20 Ų
• XlogP: 5.40

Synonyms

• (6aS,11aS)-3,6a-dihydroxy-9-methoxy-4,10- di(gamma,gamma)-dimethylallyl)pterocarpan
• 9-Methoxy-4,10-bis-(3-methyl-but-2-enyl)-11aH-benzo[4,5]furo[3,2-c]chromene-3,6a-diol
• (6aS,11aS)-9-methoxy-4,10-bis(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a(11aH)-diol
• 6H-benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol, 9-methoxy-4,10-bis(3-methyl-2-butenyl)-, (6aS,11aS)-
• InChI=1/C26H30O5/c1-15(2)6-8-17-21(27)12-10-19-23(17)30-14-26(28)20-11-13-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.66%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.39%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.74%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.63%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.97%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.55%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.36%	97.09%
CHEMBL2535	P11166	Glucose transporter	86.34%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.30%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.24%	95.56%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	83.94%	92.62%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.66%	100.00%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	82.76%	85.30%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.53%	94.03%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.89%	93.40%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	80.71%	96.90%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.45%	99.15%

Plants that contains it

• Erythrina zeyheri

Cross-Links

• PubChem: 641707
• LOTUS: LTS0195644
• wikiData: Q105337973