General Information of the Compound
Compound ID
CP0201969
Compound Name
2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one
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Synonyms
2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 9CI
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
3 inverted exclamation mark ,4 inverted exclamation mark ,5,6,7,8-HEXAMETHOXYFLAVONE
3',4',5,6,7,8-Hexamethoxyflavone
3'4'5,6,7,8-Hexamethoxyflavone
3,4,5,6,7,8-Hexamethoxyflavone
478-01-3
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI)
4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-
5,6,7,8,3'',4''-hexamethoxyflavone
5,6,7,8,3',4'-Hexamethoxyflavone
AC-1023
ACon1_000921
AK168175
AKOS015965334
ANW-42631
AS-17452
BDBM50338976
BRD-K06753942-001-02-0
C10112
CCG-38781
CCRIS 9012
CHEBI:7602
CHEMBL76447
CN0043
CPD000156231
CS-5518
D65ILJ7WLY
DB-050181
DTXSID30197275
FT-0686667
Flavone, 5,6,7,8,3',4'-hexamethoxy
HMS2051D09
HMS2234A09
HMS3373C14
HMS3393D09
HMS3651G20
HY-N0155
Hexamethoxyflavone
KBio3_001922
KBioGR_001519
LMPK12111468
MCULE-1015144950
MEGxp0_000930
MFCD03273560
MLS000574877
MLS000759462
MLS000877030
MLS001424129
N0871
N1311
NC00186
NCGC00095703-01
NCGC00095703-02
NCGC00169228-01
NCI60_041691
NOBILETIN, 20% (Technical Grade)
NSC 76751
NSC-618903
NSC-76751
NSC618903
NSC76751
Nobiletin
Nobiletin (Hexamethoxyflavone)
Nobiletin, >=97%
Nobiletin, analytical standard
Q-100511
Q2402963
S2333
SCHEMBL244029
SDCCGMLS-0066776.P001
SMR000156231
SPBio_001654
SPECTRUM1505268
SR-01000712262
SR-01000712262-5
STL565829
SW197566-2
Spectrum2_001697
Spectrum3_000921
Spectrum4_001020
UNII-D65ILJ7WLY
V0181
ZINC1531669
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Structure
Formula
C21H22O8
Molecular Weight
402.399
Canonical SMILES
COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
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InChI
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
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InChIKey
MRIAQLRQZPPODS-UHFFFAOYSA-N
CAS
478-01-3
Physicochemical Property
logP
3.5116
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
85.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 72344
SID: 14879242
ChEMBL ID
CHEMBL76447
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  1
1
IC50 = 11500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 4400 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 316.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Nobiletin )
Drug Name Nobiletin
Indication
Atherosclerosis
Preclinical
Target(s)
Nuclear receptor ROR-gamma (RORG)
Agonist