IMPPAT Phytochemical information: 
Kaempferol
Kaempferol
Summary

SMILES: Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
InChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-N
DeepSMILES: Occcccc6))cocccO)ccc6c=O)c%10O))))O
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2ccccc12
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CCCCC12
Functional groups: cO; coc; c=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketides
ClassyFire Class: Flavonoids
ClassyFire Subclass: Flavones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavonols
Synonymous chemical names:
Kaempferol, kampferol, populnetin, 3,4',5,7-tetrahydroxyflavone, Flavone,3,4',5,7-tetrahydroxy, kaempferol, 3,4’,5,7-tetrahydroxyflavone, nimbocetin, campherol, kempferol, kaemferol, kamepferol
External chemical identifiers:
CID:CID_5280863; ChEMBL:CHEMBL150; ChEBI:CHEBI:28499; ZINC:ZINC000003869768; FDASRS:731P2LE49E; SureChEMBL:SCHEMBL18817; MolPort-001-741-568
Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
Kaempferol
Physicochemical properties
Property name Tool Property value
Molecular weight (g/mol) RDKit 286.24
Log P RDKit 2.28
Topological polar surface area (Å2) RDKit 111.13
Number of hydrogen bond acceptors RDKit 6
Number of hydrogen bond donors RDKit 4
Number of carbon atoms RDKit 15
Number of heavy atoms RDKit 21
Number of heteroatoms RDKit 6
Number of nitrogen atoms RDKit 0
Number of sulfur atoms RDKit 0
Number of chiral carbon atoms RDKit 0
Stereochemical complexity RDKit 0
Number of sp hybridized carbon atoms RDKit 0
Number of sp2 hybridized carbon atoms RDKit 15
Number of sp3 hybridized carbon atoms RDKit 0
Shape complexity RDKit 0
Number of rotatable bonds RDKit 1
Number of aliphatic carbocycles RDKit 0
Number of aliphatic heterocycles RDKit 0
Number of aliphatic rings RDKit 0
Number of aromatic carbocycles RDKit 2
Number of aromatic heterocycles RDKit 1
Number of aromatic rings RDKit 3
Total number of rings RDKit 3
Number of saturated carbocycles RDKit 0
Number of saturated heterocycles RDKit 0
Number of saturated rings RDKit 0
Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
Kaempferol
Drug-likeness
Property nameToolProperty value
Number of Lipinski’s rule of 5 violations RDKit 0
Lipinski’s rule of 5 filter RDKit Passed
Number of Ghose filter violations RDKit 0
Ghose filter RDKit Passed
Veber filter RDKit Good
Pfizer 3/75 filter RDKit Good
GSK 4/400 filter RDKit Good
Weighted quantitative estimate of drug-likeness (QEDw) score RDKit 0.545851
Kaempferol
ADME properties
Property nameToolProperty value
Bioavailability score SwissADME 0.55
Solubility class [ESOL] SwissADME Soluble
Solubility class [Silicos-IT] SwissADME Soluble
Blood Brain Barrier permeation SwissADME No
Gastrointestinal absorption SwissADME High
Log Kp (Skin permeation, cm/s) SwissADME -6.70
Number of PAINS structural alerts SwissADME 0
Number of Brenk structural alerts SwissADME 0
CYP1A2 inhibitor SwissADME Yes
CYP2C19 inhibitor SwissADME No
CYP2C9 inhibitor SwissADME No
CYP2D6 inhibitor SwissADME Yes
CYP3A4 inhibitor SwissADME Yes
P-glycoprotein substrate SwissADME No
Kaempferol
Phytochemical - Human target proteins supported by experimental evidence associations
Human target proteins supported by experimental evidence
IMPPAT target identifierGene identifierHGNC symbolEntrez Gene identifierSource
TAR_EXP_000132ENSG00000137491SLCO2B111309ChEMBL
TAR_EXP_000119ENSG00000101751POLI11201ChEMBL, NPASS
TAR_EXP_000231ENSG00000101266CSNK2A11457ChEMBL, NPASS
TAR_EXP_000222ENSG00000112062MAPK141432BindingDB
TAR_EXP_000280ENSG00000160868CYP3A41576ChEMBL, NPASS
TAR_EXP_000232ENSG00000070770CSNK2A21459ChEMBL, NPASS
TAR_EXP_000234ENSG00000230700CSNK2B1460ChEMBL, NPASS
TAR_EXP_000262ENSG00000140465CYP1A11543BindingDB, ChEMBL, NPASS
TAR_EXP_000350ENSG00000106546AHR196BindingDB, ChEMBL, NPASS
TAR_EXP_000034ENSG00000105810CDK61021BindingDB, ChEMBL, NPASS
TAR_EXP_000264ENSG00000138061CYP1B11545BindingDB, ChEMBL, NPASS
TAR_EXP_000263ENSG00000140505CYP1A21544BindingDB, ChEMBL, NPASS
TAR_EXP_000271ENSG00000165841CYP2C191557NPASS
TAR_EXP_000348ENSG00000146648EGFR1956BindingDB, ChEMBL, NPASS
TAR_EXP_000322ENSG00000197635DPP41803BindingDB, ChEMBL, NPASS
TAR_EXP_000273ENSG00000138109CYP2C91559BindingDB, ChEMBL, NPASS
TAR_EXP_000276ENSG00000272532CYP2D61565ChEMBL, NPASS
TAR_EXP_000290ENSG00000196730DAPK11612BindingDB, ChEMBL, NPASS
TAR_EXP_000032ENSG00000164885CDK51020ChEMBL
TAR_EXP_000398ENSG00000173153ESRRA2101BindingDB, ChEMBL, NPASS
TAR_EXP_001683ENSG00000133742CA1759BindingDB, ChEMBL, NPASS
TAR_EXP_001684ENSG00000104267CA2760BindingDB, ChEMBL, NPASS
TAR_EXP_001686ENSG00000167434CA4762BindingDB, ChEMBL, NPASS
TAR_EXP_001689ENSG00000168748CA7766BindingDB, ChEMBL, NPASS
TAR_EXP_001691ENSG00000074410CA12771BindingDB, ChEMBL, NPASS
TAR_EXP_001737ENSG00000145391SETD780854NPASS
TAR_EXP_001166ENSG00000186951PPARA5465ChEMBL, NPASS
TAR_EXP_001778ENSG00000121691CAT847ChEMBL, NPASS
TAR_EXP_001795ENSG00000147082CCNB385417ChEMBL
TAR_EXP_001834ENSG00000176749CDK5R18851ChEMBL, NPASS
TAR_EXP_001845ENSG00000134057CCNB1891ChEMBL
TAR_EXP_001872ENSG00000157456CCNB29133ChEMBL, NPASS
TAR_EXP_001885ENSG00000178999AURKB9212BindingDB
TAR_EXP_001152ENSG00000005421PON15444ChEMBL, NPASS
TAR_EXP_001151ENSG00000170734POLH5429BindingDB, ChEMBL, NPASS
TAR_EXP_001328ENSG00000144579CTDSP158190BindingDB, ChEMBL, NPASS
TAR_EXP_001119ENSG00000137193PIM15292ChEMBL, NPASS
TAR_EXP_001106ENSG00000085563ABCB15243ChEMBL, NPASS
TAR_EXP_001062ENSG00000068745IP6K251447ChEMBL, NPASS
TAR_EXP_001906ENSG00000118777ABCG29429BindingDB, ChEMBL, NPASS
TAR_EXP_001018ENSG00000086991NOX450507BindingDB, ChEMBL, NPASS
TAR_EXP_001680ENSG00000176105YES17525BindingDB, ChEMBL, NPASS
TAR_EXP_000969ENSG00000077150NFKB24791ChEMBL
TAR_EXP_001678ENSG00000158125XDH7498BindingDB, ChEMBL, NPASS
TAR_EXP_001647ENSG00000077498TYR7299BindingDB, ChEMBL, NPASS
TAR_EXP_001343ENSG00000114200BCHE590BindingDB, ChEMBL, NPASS
TAR_EXP_001362ENSG00000173039RELA5970ChEMBL
TAR_EXP_001378ENSG00000143365RORC6097NPASS
TAR_EXP_001431ENSG00000177189RPS6KA36197BindingDB, ChEMBL
TAR_EXP_001461ENSG00000186350RXRA6256NPASS
TAR_EXP_001468ENSG00000204842ATXN26311NPASS
TAR_EXP_001508ENSG00000117394SLC2A16513ChEMBL, NPASS
TAR_EXP_001619ENSG00000131747TOP2A7153ChEMBL, NPASS
TAR_EXP_001621ENSG00000141510TP537157NPASS
TAR_EXP_001628ENSG00000072315TRPC57224ChEMBL, NPASS
TAR_EXP_001306ENSG00000196396PTPN15770ChEMBL, NPASS
TAR_EXP_001299ENSG00000073756PTGS25743BindingDB, ChEMBL, NPASS
TAR_EXP_001298ENSG00000095303PTGS15742ChEMBL, NPASS
TAR_EXP_001273ENSG00000100804PSMB55693BindingDB, ChEMBL, NPASS
TAR_EXP_001238ENSG00000109339MAPK105602BindingDB
TAR_EXP_000395ENSG00000091831ESR12099ChEMBL, NPASS
TAR_EXP_001217ENSG00000122873CISD155847BindingDB, ChEMBL, NPASS
TAR_EXP_001206ENSG00000042088TDP155775NPASS
TAR_EXP_001191ENSG00000085377PREP5550NPASS
TAR_EXP_001171ENSG00000132170PPARG5468BindingDB, ChEMBL, NPASS
TAR_EXP_001170ENSG00000112033PPARD5467ChEMBL, NPASS
TAR_EXP_001663ENSG00000162607USP17398NPASS
TAR_EXP_000968ENSG00000109320NFKB14790ChEMBL, NPASS
TAR_EXP_001148ENSG00000172115CYCS54205ChEMBL, NPASS
TAR_EXP_000961ENSG00000115488NEU24759BindingDB, NPASS
TAR_EXP_000709ENSG00000108786HSD17B13292BindingDB, ChEMBL, NPASS
TAR_EXP_000706ENSG00000291796APEX1328NPASS
TAR_EXP_000701ENSG00000164120HPGD3248ChEMBL, NPASS
TAR_EXP_000687ENSG00000100644HIF1A3091ChEMBL, NPASS
TAR_EXP_000676ENSG00000072506HSD17B103028ChEMBL, NPASS
TAR_EXP_000670ENSG00000169919GUSB2990ChEMBL, NPASS
TAR_EXP_000660ENSG00000082701GSK3B2932BindingDB, ChEMBL, NPASS
TAR_EXP_000659ENSG00000105723GSK3A2931ChEMBL
TAR_EXP_000650ENSG00000161800RACGAP129127ChEMBL, NPASS
TAR_EXP_000645ENSG00000113580NR3C12908ChEMBL, NPASS
TAR_EXP_000619ENSG00000254598CSNK2A3283106BindingDB, ChEMBL, NPASS
TAR_EXP_000611ENSG00000174876AMY1B277BindingDB
TAR_EXP_000609ENSG00000237763AMY1A276ChEMBL
TAR_EXP_000603ENSG00000124767GLO12739ChEMBL, NPASS
TAR_EXP_000567ENSG00000177628GBA12629NPASS
TAR_EXP_000516ENSG00000151151IPMK253430ChEMBL, NPASS
TAR_EXP_001942ENSG00000012504NR1H49971NPASS
TAR_EXP_000016ENSG00000254986DPP310072BindingDB
TAR_EXP_000004ENSG00000094631HDAC610013ChEMBL
TAR_EXP_000504ENSG00000179593ALOX15B247NPASS
TAR_EXP_000503ENSG00000161905ALOX15246NPASS
TAR_EXP_000500ENSG00000275565ALOX5240BindingDB, ChEMBL, NPASS
TAR_EXP_000491ENSG00000186318BACE123621BindingDB, ChEMBL, NPASS
TAR_EXP_000462ENSG00000122025FLT32322ChEMBL, NPASS
TAR_EXP_000456ENSG00000085662AKR1B1231ChEMBL, NPASS
TAR_EXP_000433ENSG00000168496FEN12237NPASS
TAR_EXP_000428ENSG00000165140FBP12203ChEMBL, NPASS
TAR_EXP_000414ENSG00000170323FABP42167ChEMBL
TAR_EXP_000411ENSG00000165092ALDH1A1216NPASS
TAR_EXP_000711ENSG00000086696HSD17B23294BindingDB, ChEMBL, NPASS
TAR_EXP_000966ENSG00000116044NFE2L24780ChEMBL, NPASS
TAR_EXP_001930ENSG00000170312CDK1983ChEMBL
TAR_EXP_001326ENSG00000105426PTPRS5802ChEMBL, NPASS
TAR_EXP_000716ENSG00000101966XIAP331ChEMBL, NPASS
TAR_EXP_000806ENSG00000156113KCNMA13778ChEMBL, NPASS
TAR_EXP_000798ENSG00000055118KCNH23757NPASS
TAR_EXP_000773ENSG00000169083AR367BindingDB, ChEMBL, NPASS
TAR_EXP_000819ENSG00000235268KDM4E390245NPASS
TAR_EXP_000833ENSG00000160789LMNA4000NPASS
TAR_EXP_000752ENSG00000142192APP351BindingDB, ChEMBL, NPASS
TAR_EXP_000853ENSG00000276155MAPT4137ChEMBL, NPASS
TAR_EXP_000880ENSG00000118058KMT2A4297NPASS
TAR_EXP_000881ENSG00000087085ACHE43BindingDB, ChEMBL, NPASS
TAR_EXP_000894ENSG00000103152MPG4350ChEMBL, NPASS
TAR_EXP_001923ENSG00000066135KDM4A9682NPASS
TAR_EXP_000720ENSG00000106211HSPB13315NPASS
TAR_EXP_000896ENSG00000005381MPO4353BindingDB, ChEMBL, NPASS
TAR_EXP_000898ENSG00000103222ABCC14363ChEMBL, NPASS
TAR_EXP_000747ENSG00000138413IDH13417ChEMBL, NPASS