Flavone


PubChem CID 10680
Molecular Formula C15H10O2
Structure Compound Image
Synonyms
FLAVONE
525-82-6
2-Phenyl-4H-chromen-4-one
2-Phenylchromone
2-Phenyl-4-chromone
Asmacoril
2-phenylchromen-4-one
Chromocor
Cromaril
2-Phenyl-4H-1-benzopyran-4-one
2-Phenyl-chromen-4-one
2-Phenyl-4-benzopyron
4H-1-Benzopyran-4-one, 2-phenyl-
Phenylchromone
Cromarile
2-Phenyl-gamma-benzopyrone
2-Phenylbenzopyran-4-one
2-Phenyl-4H-benzopyran-4-one
Flavon
2-Phenyl-.gamma.-benzopyrone
MFCD00006825
NSC 19028
NSC-19028
NSC19028
2-phenyl-1,4-benzopyrone
MLS002638647
CHEMBL275638
S2V45N7G3B
DTXSID2022048
CHEBI:42491
NCGC00090962-05
DTXCID602048
2-Phenyl-4H-chromen-4-on
CAS-525-82-6
FLN
SMR000112315
Flavone (VAN)
CCRIS 4288
EINECS 208-383-8
BRN 0157598
UNII-S2V45N7G3B
Flavone, Flavone
4hki
2-phenyl-4H-chromone
FLAVONE [MI]
Maybridge3_005286
bmse000945
CBiol_000263
SCHEMBL18879
GTPL409
5-17-10-00552 (Beilstein Handbook Reference)
MLS002177804
MLS002473400
2-Phenylbenzo[b]pyran-4-one
BIDD:ER0515
2-phenyl-1-benzopyran-4-one
MEGxp0_001685
2-Phenyl-4H-chromen-4-one #
ACon1_000055
HMS1446A06
HMS2269O06
HMS3604K19
HY-N2424
Tox21_202987
Tox21_400059
BDBM50028962
ICCB2_000263
LMPK12110097
s3967
STK164205
AKOS000603572
CCG-214679
DB07776
IDI1_016673
NCGC00090962-01
NCGC00090962-02
NCGC00090962-03
NCGC00090962-04
NCGC00090962-06
NCGC00168837-01
NCGC00260532-01
AC-35144
AS-58464
SY012830
DB-052142
CS-0022637
F0015
NS00007856
C10043
F-2700
A829155
EN300-18246169
L001213
CU-00000000060-1
Q2742033
BRD-K86741145-001-01-5
6CC153EB-39A6-42FC-BE96-C8BF1D585E27
11091-19-3
InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10

Computed Descriptors


IUPAC Name 2-phenylchromen-4-one
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
Canonical SMILES C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChIKey VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 222.24 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 222.068
Monoisotopic Mass 222.068
Topological Polar Surface Area 26.3
Heavy Atom Count 17
Formal Charge 0
Complexity 326
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

9 pairs of Verified P450 and Flavone


Insect Gene Symbol Validation Reference
Helicoverpa armigera CYP321A1 R
Helicoverpa zea CYP6B8 X
Papilio polyxenes CYP6B1 X
Spodoptera litura CYP321A10 R
Spodoptera litura CYP321A12 R
Spodoptera litura CYP321A15 R
Spodoptera litura CYP321A7 R
Spodoptera litura CYP321A8 R
Spodoptera litura CYP6AB14 R