Identification

PhytoHub ID
PHUB001369
Name
6'-Hydroxy-O-desmethylangolensin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
274.272
Monoisotopic Mass
274.084123551
Chemical Formula
C15H14O5
IUPAC Name
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI Key
IEFUAUZFJJOQMC-UHFFFAOYNA-N
InChI Identifier
InChI=1/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-8,16-19H,1H3
SMILES
CC(C(=O)C1=C(O)C=C(O)C=C1O)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.73e-01 g/l
LogS (ALOGPS)
-3.20
LogP (ALOGPS)
2.53
Hydrogen Acceptors
5
Hydrogen Donors
4
Rotatable Bond Count
3
Polar Surface Area
97.99000000000001
Refractivity
73.6808
Polarizability
26.706561605606684
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.6123264061474645
pKa (strongest acidic)
7.933863276329214
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
GenisteinPolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Genistein 6'-Hydroxy-O-desmethylangolensinhumanurinehost metabolismC15H14O5274.084123551 Publications
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