Identification

PhytoHub ID
PHUB000248
Name
Seselin
Synonyms
  • Amyrolin
CAS Number
Not Available
Average Mass
228.247
Monoisotopic Mass
228.078644246
Chemical Formula
C14H12O3
IUPAC Name
8,8-dimethylpyrano[2,3-h]chromen-2-one
InChI Key
QUVCQYQEIOLHFZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
SMILES
CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C=C2
Structure

Calculated Properties

Solubility (ALOGPS)
4.00e-02 g/l
LogS (ALOGPS)
-3.76
LogP (ALOGPS)
3.00
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
35.53
Refractivity
65.94200000000001
Polarizability
23.91271836708977
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.90678503664917
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Polyphenols
Class
Coumarins and Furanocoumarins
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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