Identification

PhytoHub ID
PHUB000232
Name
Sayanedine
Synonyms
Not Available
CAS Number
Not Available
Average Mass
298.294
Monoisotopic Mass
298.084123551
Chemical Formula
C17H14O5
IUPAC Name
sayanedine
InChI Key
JSDXTLJPMLRQOB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C(OC)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.19e-02 g/l
LogS (ALOGPS)
-3.97
LogP (ALOGPS)
3.47
Hydrogen Acceptors
5
Hydrogen Donors
1
Rotatable Bond Count
3
Polar Surface Area
64.99000000000001
Refractivity
80.6475
Polarizability
30.774143009799396
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.502711415347027
pKa (strongest acidic)
9.443992428443641
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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