precursor

Showing entry for Sayanedine

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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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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