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8-Prenylquercetin

CAT: 0926-FP138622Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FP138622Size:1 g
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CAS Number
143724-75-8
Smiles
CC (=CCC1=C2C (=C (C=C1O) O) C (=O) C (=C (O2) C3=CC (=C (C=C3) O) O) O) C
Molecular Formula
C27H30O11
Molecular Weight
530.52 g/mol
Controlled
No

Chemical Information

8-Prenylquercetin

8-Prenylquercetin has been reported in Ophioglossum petiolatum with data available.

CAS Number143724-75-8
PubChem CID9799499
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC20H18O7
Molecular Weight370.4
XLogP4.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity636
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15(24)16-17(25)18(26)19(27-20(11)16)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3
InChIKey
ZHTTWVRMGWQEOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Prenylquercetin
CAS: 143724-75-8
CID: 9799499
Formula: C20H18O7
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP34.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass370.10525291
Monoisotopic Mass370.10525291
Topological Polar Surface Area127 Ų
Heavy Atom Count27
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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