acompound

Showing entry for Panepophenanthrine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029839
Compound Name	Panepophenanthrine
Structure
Formula	C22H28O8
InchiKey	WQBRQZUREPTGLI-ODDMXWQNSA-N
SMILES	O[C@H]1[C@@H]2O[C@@H]2[C@]2([C@]3([C@@H]1[C@@H]1[C@@H](O)[C@@H]4O[C@@H]4C(=O)C1=C[C@@H]3C(O2)(C)C)/C=C/C(O)(C)C)O
Inchi	InChI=1S/C22H28O8/c1-19(2,26)5-6-21-9-7-8-10(13(24)16-15(28-16)12(8)23)11(21)14(25)17-18(29-17)22(21,27)30-20(9,3)4/h5-7,9-11,13-18,24-27H,1-4H3/b6-5+/t9-,10-,11-,13-,14-,15-,16+,17+,18+,21-,22+/m1/s1
IUPAC
Molecular Weight	420.18
Pubchem Id	10432257
Chembl Id	CHEMBL2046774

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

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
reviewed	BXGT008755	Ubiquitin-like modifier-activating enzyme 1	reviewed	Enzyme	UBA1	-	40000	-	-

CHEMBL

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
P22314	BXGT008755	Ubiquitin-like modifier-activating enzyme 1	reviewed	Enzyme	UBA1	IC50	'='	40000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00196	Common verbena	Verbena officinalis	Herbs and Spices
BXGF01084	Duranta erecta	Duranta erecta	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}