acompound

Showing entry for handelin

General Compound Information
BXGC Id	BXGC0045321
Compound Name	handelin
Structure
Formula	C32H40O8
InchiKey	SZQWAXGDCUONOB-QKARTHDOSA-N
SMILES	CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2[C@@H]([C@@H]3[C@@H]1[C@@]1(C[C@]45[C@H]([C@@]1(C)C=C4)[C@H]1OC(=O)C(=C)[C@@H]1CC[C@@]5(C)O)C(=O)O3)C(=CC2)C
Inchi	InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28+,29+,30+,31-,32-/m0/s1
IUPAC
Molecular Weight	552.27
Pubchem Id	90474153
Chembl Id	CHEMBL3264099

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL3264099

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q04207	BXGT012755	Transcription factor p65	reviewed	-	Rela	Inhibition	-	-	-
Q04207	BXGT012755	Transcription factor p65	reviewed	-	Rela	FC	'='	0	-
Q9WTU6	BXGT021933	Mitogen-activated protein kinase 9	reviewed	-	Mapk9	FC	'='	0	-
Q91Y86	BXGT019324	Mitogen-activated protein kinase 8	reviewed	-	Mapk8	FC	'='	0	-
Q63844	BXGT016080	Mitogen-activated protein kinase 3	reviewed	-	Mapk3	FC	'='	0	-
P63085	BXGT011493	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	FC	'='	0	-
P25799	BXGT009073	Nuclear factor NF-kappa-B p105 subunit	reviewed	-	Nfkb1	FC	'='	0	-
Q04207	BXGT012755	Transcription factor p65	reviewed	-	Rela	FC	'='	0	-
Q63844	BXGT016080	Mitogen-activated protein kinase 3	reviewed	-	Mapk3	Inhibition	-	-	-
P63085	BXGT011493	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	Inhibition	-	-	-
P25799	BXGT009073	Nuclear factor NF-kappa-B p105 subunit	reviewed	-	Nfkb1	Inhibition	-	-	-
Q9Z1B7	BXGT022403	Mitogen-activated protein kinase 13	reviewed	-	Mapk13	Inhibition	-	-	-
Q9WUI1	BXGT021940	Mitogen-activated protein kinase 11	reviewed	-	Mapk11	Inhibition	-	-	-
O08911	BXGT004043	Mitogen-activated protein kinase 12	reviewed	-	Mapk12	Inhibition	-	-	-
P47811	BXGT010587	Mitogen-activated protein kinase 14	reviewed	-	Mapk14	Inhibition	-	-	-
Q9WTU6	BXGT021933	Mitogen-activated protein kinase 9	reviewed	-	Mapk9	FC	'='	0	-
Q91Y86	BXGT019324	Mitogen-activated protein kinase 8	reviewed	-	Mapk8	FC	'='	0	-
P25799	BXGT009073	Nuclear factor NF-kappa-B p105 subunit	reviewed	-	Nfkb1	FC	'='	0	-
Q63844	BXGT016080	Mitogen-activated protein kinase 3	reviewed	-	Mapk3	FC	'='	0	-
P63085	BXGT011493	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	FC	'='	0	-
Q9WTU6	BXGT021933	Mitogen-activated protein kinase 9	reviewed	-	Mapk9	FC	'='	0	-
Q91Y86	BXGT019324	Mitogen-activated protein kinase 8	reviewed	-	Mapk8	FC	'='	0	-
Q63844	BXGT016080	Mitogen-activated protein kinase 3	reviewed	-	Mapk3	FC	'='	0	-
P63085	BXGT011493	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	FC	'='	0	-
Q9WTU6	BXGT021933	Mitogen-activated protein kinase 9	reviewed	-	Mapk9	Inhibition	-	-	-
Q91Y86	BXGT019324	Mitogen-activated protein kinase 8	reviewed	-	Mapk8	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04591	Chrysanthemum boreale	Chrysanthemum boreale	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}