acompound

Showing entry for lespenefril

General Compound Information
BXGC Id	BXGC0033154
Compound Name	lespenefril
Structure
Formula	C27H30O14
InchiKey	PUPKKEQDLNREIM-QNSQPKOQSA-N
SMILES	Oc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
IUPAC	5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one
Molecular Weight	578.16
Pubchem Id	5486199
Chembl Id	CHEMBL251766

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

50331856

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	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	>400000	-	-

CHEMBL

CHEMBL251766

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
O14746	BXGT004091	Telomerase reverse transcriptase	reviewed	Enzyme	TERT	Inhibition	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	15	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	400000	nM
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00303	Chia	Salvia hispanica	Herbs and Spices
BXGF00869	Teucrium betonicum	Teucrium betonicum	Others
BXGF00998	Syncarpia hillii	Syncarpia hillii	Others
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01255	Lemaireocereus griseus	Lemaireocereus griseus	Human Edible Plant
BXGF01455	Diospyros eriantha	Diospyros eriantha	Others
BXGF01491	Alkanna cappadocica	Alkanna cappadocica	Medicinal Plant
BXGF01524	Artemisia dentata	Artemisia dentata	Others
BXGF01633	Scorzonera pseudodivaricata	Scorzonera pseudodivaricata	Others
BXGF01649	Rapanea lancifolia	Rapanea lancifolia	Others
BXGF01670	Ononis vaginalis	Ononis vaginalis	Others
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF02663	Atalantia racemosa	Atalantia racemosa	Medicinal Plant
BXGF02956	Forsythia viridissima	Forsythia viridissima	Medicinal Plant
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	Medicinal Plant
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03342	Buddleja cordata	Buddleja cordata	Others
BXGF03747	Millettia erythrocalyx	Millettia erythrocalyx	Medicinal Plant
BXGF03814	Juniperus rigida var. conferta	Juniperus rigida var. conferta	Medicinal Plant
BXGF03978	Hoffmannia strigillosa	Hoffmannia strigillosa	Others
BXGF05299	Corynandra viscosa	Corynandra viscosa	Medicinal Plant
BXGF05396	Daphne oleoides	Daphne oleoides	Medicinal Plant
BXGF05435	Dorycnium hirsutum	Dorycnium hirsutum	Others
BXGF05448	Dryopteris crassirhizoma	Dryopteris crassirhizoma	Medicinal Plant
BXGF05560	Crambe tatarica	Crambe tatarica	Medicinal Plant
BXGF05739	Ixora coccinea	Ixora coccinea	Medicinal Plant
BXGF06116	Pteris semipinnata	Pteris semipinnata	Others
BXGF06193	Fritillaria ningguoensis	Fritillaria ningguoensis	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}