acompound

Showing entry for Leucosceptoside A

General Compound Information
BXGC Id	BXGC0012461
Compound Name	Leucosceptoside A
Structure
Formula	C30H38O15
InchiKey	ZMYQRHSOVRDQDL-CPPDSBOHSA-N
SMILES	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-3-6-17(32)19(34)11-16)43-21(13-31)27(28)44-22(35)8-5-15-4-7-18(33)20(12-15)40-2/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s
IUPAC	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Weight	638.22
Pubchem Id	10394343
Chembl Id	CHEMBL450121

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

50250350

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	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	-	19000	-	-

CHEMBL

CHEMBL450121

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	21	%
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	19000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00858	Euphorbia antiquorum	Euphorbia antiquorum	Medicinal Plant
BXGF00952	Cyathula tomentosa	Cyathula tomentosa	Medicinal Plant
BXGF01096	Scapania aequiloba	Scapania aequiloba	Others
BXGF01099	Exochorda giraldii	Exochorda giraldii	Others
BXGF01189	Artemisia argentea	Artemisia argentea	Others
BXGF01392	Brodiaea californica	Brodiaea californica	Others
BXGF01517	Allium stipitatum	Allium stipitatum	Medicinal Plant
BXGF01564	Spergula japonica	Spergula japonica	Others
BXGF01592	Plantago lanceolata	Plantago lanceolata	Medicinal Plant
BXGF01627	Asphodeline damascena	Asphodeline damascena	Others
BXGF01690	Populus yunnanensis	Populus yunnanensis	Others
BXGF01784	Leonurus persicus	Leonurus persicus	Medicinal Plant
BXGF01815	Scabiosa comosa	Scabiosa comosa	Medicinal Plant
BXGF01842	Plectranthus lanuginosus	Plectranthus lanuginosus	Medicinal Plant
BXGF01873	Kopsia longiflora	Kopsia longiflora	Medicinal Plant
BXGF01938	Lepidophorum repandum	Lepidophorum repandum	Others
BXGF01962	Alstonia pittieri	Alstonia pittieri	Others
BXGF01965	Angiopteris evecta	Angiopteris evecta	Medicinal Plant
BXGF02126	Rhododendron campylocarpum	Rhododendron campylocarpum	Others
BXGF02208	Stephania aculeata	Stephania aculeata	Others
BXGF02337	Penstemon linarioides	Penstemon linarioides	Others
BXGF02545	Toddalia aculeata	Toddalia aculeata	Medicinal Plant
BXGF03048	Campsis grandiflora	Campsis grandiflora	Medicinal Plant
BXGF03396	Himantoglossum hircinum	Himantoglossum hircinum	Others
BXGF04036	Solanum pseudopersicum	Solanum pseudopersicum	Others
BXGF04287	Acacia lasiopetala	Acacia lasiopetala	Others
BXGF04377	Euphrasia rubra	Euphrasia rubra	Others
BXGF04597	Notholaena lemmonii	Notholaena lemmonii	Others
BXGF04861	Rhodanthe maryonii	Rhodanthe maryonii	Others
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05276	Digitalis purpurea	Digitalis purpurea	Medicinal Plant
BXGF05402	Myristica malabarica	Myristica malabarica	Medicinal Plant
BXGF05572	Spartium junceum	Spartium junceum	Medicinal Plant
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	Medicinal Plant
BXGF06049	Eucalyptus kitsoniana	Eucalyptus kitsoniana	Others
BXGF06113	Plantago depressa	Plantago depressa	Medicinal Plant
BXGF06308	Plagiomnium cuspidatum	Plagiomnium cuspidatum	Others

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}