3'-Prenylnaringenin

CAT: 0926-FP137765-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-FP137765-01Size:1 mg

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CAS Number

119240-82-3

Synonyms

5,7,4'-Trihydroxy-3'-C-prenylflavanone

MDL Number

MFCD00272177

Smiles

CC (=CCC1=C (C=CC (=C1) C2=CC (=O) C3=C (C=C (C=C3O2) O) O) O) C

Controlled

Chemical Information

Licoflavanone

(S)-4',5,7-Trihydroxy-3'-prenylflavanone is a member of flavanones.

CAS Number	119240-82-3
PubChem CID	14218027
IUPAC Name	5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Molecular Formula	C20H20O5
Molecular Weight	340.4
XLogP	4.3
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	512

SMILES

CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C

InChI

InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3

InChIKey

CGKWSLSAYABZTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119240-82-3

CID: 14218027

Formula: C20H20O5

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	340.13107373
Monoisotopic Mass	340.13107373
Topological Polar Surface Area	87 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	512
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FP64928-01	8-Prenylnaringenin
FP69729-01	6-Prenylnaringenin
LKA77660-01	6-Methyl-8-prenylnaringenin
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate