Licoflavone C

CAT: 0127-BUP20100-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20100-03Size:10 mg

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CAS Number

72357-31-4

Synonyms

4',5,7-Trihydroxy-8-prenylflavone

Purity

=90%

Smiles

C(OC([C@](C(C)(C)O)([C@H](C)O)O)=O)C=1[C@]2(N(CC[C@H]2OC(/C(=C\C)/C)=O)CC1)[H]

Chemical Information

Licoflavone C

licoflavone c has been reported in Artocarpus altilis, Genista ephedroides, and other organisms with data available.

CAS Number	72357-31-4
PubChem CID	10246505
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular Formula	C20H18O5
Molecular Weight	338.4
XLogP	3.7
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	554

SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3

InChIKey

MEHHCBRCXIDGKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72357-31-4

CID: 10246505

Formula: C20H18O5

MW: 338.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	338.4
XLogP3	3.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	338.11542367
Monoisotopic Mass	338.11542367
Topological Polar Surface Area	87 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	554
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes