Identification

PhytoHub ID
PHUB001885
Name
Cerasin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
330.336
Monoisotopic Mass
330.1103383
Chemical Formula
C18H18O6
IUPAC Name
cerasin
InChI Key
CWMMCBXYWVPWJL-FNORWQNLSA-N
InChI Identifier
InChI=1S/C18H18O6/c1-22-13-6-4-11(16(10-13)23-2)5-7-14(20)18-15(21)8-12(19)9-17(18)24-3/h4-10,19,21H,1-3H3/b7-5+
SMILES
COC1=CC(OC)=C(\C=C\C(=O)C2=C(OC)C=C(O)C=C2O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.72e-02 g/l
LogS (ALOGPS)
-4.28
LogP (ALOGPS)
3.02
Hydrogen Acceptors
6
Hydrogen Donors
2
Rotatable Bond Count
6
Polar Surface Area
85.22
Refractivity
90.22839999999998
Polarizability
34.15282508270362
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.382754120389406
pKa (strongest acidic)
7.197876874766304
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Taxonomy

Family
Miscellaneous phytochemicals
Class
Not Available
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Tart cherryFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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