acompound

Showing entry for Punicalin

General Compound Information
BXGC Id	BXGC0015593
Compound Name	Punicalin
Structure
Formula	C34H22O22
InchiKey	IQHIEHIKNWLKFB-ITTSEVFZSA-N
SMILES	O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(O)c(O)c4c5c3c(=O)oc3c(c(c(c6c(C(=O)O[C@H]2[C@@H]([C@H]1O)O)cc(O)c(c6O)O)c(c(=O)o4)c53)O)O)O)O
Inchi	InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34-/m1/s1
IUPAC
Molecular Weight	782.06
Pubchem Id	5464368
Chembl Id	CHEMBL502440

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

50377923

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	BXGT010917	Squalene monooxygenase	reviewed		Sqle	-	20000	-	-

CHEMBL

CHEMBL502440

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	'='	34	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	-	-	-
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	ID50	'='	8	uM
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	'='	11	%
P52020	BXGT010917	Squalene monooxygenase	reviewed	-	Sqle	IC50	'='	20000	nM
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	'='	45	%
Q72547	BXGT016709	Reverse transcriptase/RNaseH	unreviewed	-	pol	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF01304	Conyza canadensis	Conyza canadensis	Medicinal Plant
BXGF01362	Coreopsis fasciculata	Coreopsis fasciculata	Others
BXGF01601	Selinum carvifolium	Selinum carvifolium	Others
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02970	Crepis foetida	Crepis foetida	Medicinal Plant
BXGF03014	Cirsium japonicum	Cirsium japonicum	Medicinal Plant
BXGF03039	Dorstenia lindeniana	Dorstenia lindeniana	Others
BXGF03059	Dioscoreophyllum cumminsii	Dioscoreophyllum cumminsii	Medicinal Plant
BXGF03121	Phytolacca acinosa	Phytolacca acinosa	Medicinal Plant
BXGF03140	Garcinia hombroniana	Garcinia hombroniana	Medicinal Plant
BXGF03192	Cardiospermum halicacabum	Cardiospermum halicacabum	Medicinal Plant
BXGF03199	Combretum indicum	Combretum indicum	Medicinal Plant
BXGF03213	Aglaia elaeagnoidea	Aglaia elaeagnoidea	Human Edible Plant
BXGF03272	Urtica triangularis	Urtica triangularis	Human Edible Plant
BXGF03320	Pouzolzia occidentalis	Pouzolzia occidentalis	Others
BXGF03344	Centaurea nigrescens	Centaurea nigrescens	Human Edible Plant
BXGF03400	Piper arboreum	Piper arboreum	Medicinal Plant
BXGF03431	Parastrephia lepidophylla	Parastrephia lepidophylla	Others
BXGF03445	Phlogacanthus thyrsiflorus	Phlogacanthus thyrsiflorus	Medicinal Plant
BXGF03455	Euphorbia segetalis	Euphorbia segetalis	Others
BXGF03465	Sidastrum acuminatum	Sidastrum acuminatum	Others
BXGF03480	Syncolostemon parviflorus	Syncolostemon parviflorus	Others
BXGF03491	Aristolochia elegans	Aristolochia elegans	Others
BXGF03503	Penstemon secundiflorus	Penstemon secundiflorus	Others
BXGF03541	Cuphea carthagenensis	Cuphea carthagenensis	Others
BXGF03552	Ozoroa insignis	Ozoroa insignis	Medicinal Plant
BXGF03571	Ruta microcarpa	Ruta microcarpa	Medicinal Plant
BXGF03579	Crinum defixum	Crinum defixum	Medicinal Plant
BXGF03742	Zanthoxylum monophyllum	Zanthoxylum monophyllum	Others
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF04756	Astragalus gummifer	Astragalus gummifer	Medicinal Plant
BXGF04890	Triglochin maritima	Triglochin maritima	Medicinal Plant
BXGF05640	Phedimus kamtschaticus	Phedimus kamtschaticus	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}