acompound

Showing entry for R-(+)-Marmin-6'-Linoleate

General Compound Information
BXGC Id	BXGC0045121
Compound Name	R-(+)-Marmin-6'-Linoleate
Structure
Formula	C37H54O6
InchiKey	YRFIJMKHSNJANR-RAANRXCMSA-N
SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](C(O)(C)C)CC/C(=C/COc1ccc2c(c1)oc(=O)cc2)/C
Inchi	InChI=1S/C37H54O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(38)43-34(37(3,4)40)25-21-30(2)27-28-41-32-24-22-31-23-26-36(39)42-33(31)29-32/h9-10,12-13,22-24,26-27,29,34,40H,5-8,11,14-21,25,28H2,1-4H3/b10-9-,13-12-,30-27+/t34-/m1/s1
IUPAC	[(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular Weight	594.39
Pubchem Id	71584690
Chembl Id	CHEMBL2346917

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

CHEMBL2346917

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
Q9Y6M9	BXGT022336	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9	reviewed	Enzyme	NDUFB9	IC50	'='	2350	nM
Q9Y375	BXGT022253	Complex I intermediate-associated protein 30, mitochondrial	reviewed	-	NDUFAF1	IC50	'='	2350	nM
Q9UI09	BXGT021710	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12	reviewed	-	NDUFA12	IC50	'='	2350	nM
Q9P0J0	BXGT021287	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	reviewed	Enzyme	NDUFA13	IC50	'='	2350	nM
Q9P032	BXGT021286	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4	reviewed	-	NDUFAF4	IC50	'='	2350	nM
Q9NX14	BXGT021242	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial	reviewed	Enzyme	NDUFB11	IC50	'='	2350	nM
Q9NRX3	BXGT021197	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2	reviewed	Enzyme	NDUFA4L2	IC50	'='	2350	nM
Q9BU61	BXGT020131	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 3	reviewed	-	NDUFAF3	IC50	'='	2350	nM
Q8N183	BXGT018497	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2	reviewed	-	NDUFAF2	IC50	'='	2350	nM
Q16795	BXGT013671	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial	reviewed	Enzyme	NDUFA9	IC50	'='	2350	nM
Q16718	BXGT013661	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5	reviewed	Enzyme	NDUFA5	IC50	'='	2350	nM
P56181	BXGT011148	NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial	reviewed	-	NDUFV3	IC50	'='	2350	nM
P49821	BXGT010748	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	reviewed	-	NDUFV1	IC50	'='	2350	nM
P28331	BXGT009252	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial	reviewed	Enzyme	NDUFS1	IC50	'='	2350	nM
P19404	BXGT008477	NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial	reviewed	-	NDUFV2	IC50	'='	2350	nM
O96000	BXGT005412	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10	reviewed	-	NDUFB10	IC50	'='	2350	nM
O95298	BXGT005371	NADH dehydrogenase [ubiquinone] 1 subunit C2	reviewed	Enzyme	NDUFC2	IC50	'='	2350	nM
O95182	BXGT005359	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7	reviewed	-	NDUFA7	IC50	'='	2350	nM
O95178	BXGT005357	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial	reviewed	-	NDUFB2	IC50	'='	2350	nM
O95169	BXGT005356	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial	reviewed	Enzyme	NDUFB8	IC50	'='	2350	nM
O95168	BXGT005355	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4	reviewed	-	NDUFB4	IC50	'='	2350	nM
O95167	BXGT005354	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3	reviewed	-	NDUFA3	IC50	'='	2350	nM
O75489	BXGT005131	NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial	reviewed	-	NDUFS3	IC50	'='	2350	nM
O75438	BXGT005126	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1	reviewed	-	NDUFB1	IC50	'='	2350	nM
O75380	BXGT005120	NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial	reviewed	Enzyme	NDUFS6	IC50	'='	2350	nM
O75251	BXGT005107	NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial	reviewed	-	NDUFS7	IC50	'='	2350	nM
O43920	BXGT004637	NADH dehydrogenase [ubiquinone] iron-sulfur protein 5	reviewed	-	NDUFS5	IC50	'='	2350	nM
O43678	BXGT004613	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2	reviewed	Enzyme	NDUFA2	IC50	'='	2350	nM
O43677	BXGT004612	NADH dehydrogenase [ubiquinone] 1 subunit C1, mitochondrial	reviewed	-	NDUFC1	IC50	'='	2350	nM
O43676	BXGT004611	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3	reviewed	-	NDUFB3	IC50	'='	2350	nM
O43181	BXGT004576	NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial	reviewed	-	NDUFS4	IC50	'='	2350	nM
O15239	BXGT004139	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1	reviewed	-	NDUFA1	IC50	'='	2350	nM
O14561	BXGT004071	Acyl carrier protein, mitochondrial	reviewed	Transporter	NDUFAB1	IC50	'='	2350	nM
P03897	BXGT006111	NADH-ubiquinone oxidoreductase chain 3	reviewed	-	MT-ND3	IC50	'='	2350	nM
P03905	BXGT006113	NADH-ubiquinone oxidoreductase chain 4	reviewed	Enzyme	MT-ND4	IC50	'='	2350	nM
O43674	BXGT004610	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial	reviewed	Enzyme	NDUFB5	IC50	'='	2350	nM
P51970	BXGT010912	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8	reviewed	Enzyme	NDUFA8	IC50	'='	2350	nM
P03915	BXGT006114	NADH-ubiquinone oxidoreductase chain 5	reviewed	Enzyme	MT-ND5	IC50	'='	2350	nM
O75306	BXGT005108	NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial	reviewed	Enzyme	NDUFS2	IC50	'='	2350	nM
P03891	BXGT006110	NADH-ubiquinone oxidoreductase chain 2	reviewed	-	MT-ND2	IC50	'='	2350	nM
P17568	BXGT008317	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7	reviewed	Enzyme	NDUFB7	IC50	'='	2350	nM
Q86Y39	BXGT017632	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	reviewed	-	NDUFA11	IC50	'='	2350	nM
O00483	BXGT003930	Cytochrome c oxidase subunit NDUFA4	reviewed	Enzyme	NDUFA4	IC50	'='	2350	nM
O95139	BXGT005349	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6	reviewed	-	NDUFB6	IC50	'='	2350	nM
P03886	BXGT006108	NADH-ubiquinone oxidoreductase chain 1	reviewed	Enzyme	MT-ND1	IC50	'='	2350	nM
P56556	BXGT011179	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6	reviewed	Enzyme	NDUFA6	IC50	'='	2350	nM
P03901	BXGT006112	NADH-ubiquinone oxidoreductase chain 4L	reviewed	Enzyme	MT-ND4L	IC50	'='	2350	nM
O00217	BXGT003898	NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial	reviewed	Enzyme	NDUFS8	IC50	'='	2350	nM
O95299	BXGT005372	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial	reviewed	Enzyme	NDUFA10	IC50	'='	2350	nM
P03923	BXGT006115	NADH-ubiquinone oxidoreductase chain 6	reviewed	-	MT-ND6	IC50	'='	2350	nM
Q9Y6M9	BXGT022336	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9	reviewed	Enzyme	NDUFB9	IC50	'='	920	nM
Q9Y375	BXGT022253	Complex I intermediate-associated protein 30, mitochondrial	reviewed	-	NDUFAF1	IC50	'='	920	nM
Q9UI09	BXGT021710	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12	reviewed	-	NDUFA12	IC50	'='	920	nM
Q9P0J0	BXGT021287	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	reviewed	Enzyme	NDUFA13	IC50	'='	920	nM
Q9P032	BXGT021286	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4	reviewed	-	NDUFAF4	IC50	'='	920	nM
Q9NX14	BXGT021242	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial	reviewed	Enzyme	NDUFB11	IC50	'='	920	nM
Q9NRX3	BXGT021197	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2	reviewed	Enzyme	NDUFA4L2	IC50	'='	920	nM
Q9BU61	BXGT020131	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 3	reviewed	-	NDUFAF3	IC50	'='	920	nM
Q8N183	BXGT018497	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2	reviewed	-	NDUFAF2	IC50	'='	920	nM
Q16795	BXGT013671	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial	reviewed	Enzyme	NDUFA9	IC50	'='	920	nM
Q16718	BXGT013661	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5	reviewed	Enzyme	NDUFA5	IC50	'='	920	nM
P56181	BXGT011148	NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial	reviewed	-	NDUFV3	IC50	'='	920	nM
P49821	BXGT010748	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	reviewed	-	NDUFV1	IC50	'='	920	nM
P28331	BXGT009252	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial	reviewed	Enzyme	NDUFS1	IC50	'='	920	nM
P19404	BXGT008477	NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial	reviewed	-	NDUFV2	IC50	'='	920	nM
O96000	BXGT005412	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10	reviewed	-	NDUFB10	IC50	'='	920	nM
O95298	BXGT005371	NADH dehydrogenase [ubiquinone] 1 subunit C2	reviewed	Enzyme	NDUFC2	IC50	'='	920	nM
O95182	BXGT005359	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7	reviewed	-	NDUFA7	IC50	'='	920	nM
O95178	BXGT005357	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial	reviewed	-	NDUFB2	IC50	'='	920	nM
O95169	BXGT005356	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial	reviewed	Enzyme	NDUFB8	IC50	'='	920	nM
O95168	BXGT005355	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4	reviewed	-	NDUFB4	IC50	'='	920	nM
O95167	BXGT005354	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3	reviewed	-	NDUFA3	IC50	'='	920	nM
O75489	BXGT005131	NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial	reviewed	-	NDUFS3	IC50	'='	920	nM
O75438	BXGT005126	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1	reviewed	-	NDUFB1	IC50	'='	920	nM
O75380	BXGT005120	NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial	reviewed	Enzyme	NDUFS6	IC50	'='	920	nM
O75251	BXGT005107	NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial	reviewed	-	NDUFS7	IC50	'='	920	nM
O43920	BXGT004637	NADH dehydrogenase [ubiquinone] iron-sulfur protein 5	reviewed	-	NDUFS5	IC50	'='	920	nM
O43678	BXGT004613	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2	reviewed	Enzyme	NDUFA2	IC50	'='	920	nM
O43677	BXGT004612	NADH dehydrogenase [ubiquinone] 1 subunit C1, mitochondrial	reviewed	-	NDUFC1	IC50	'='	920	nM
O43676	BXGT004611	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3	reviewed	-	NDUFB3	IC50	'='	920	nM
O43181	BXGT004576	NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial	reviewed	-	NDUFS4	IC50	'='	920	nM
O15239	BXGT004139	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1	reviewed	-	NDUFA1	IC50	'='	920	nM
O14561	BXGT004071	Acyl carrier protein, mitochondrial	reviewed	Transporter	NDUFAB1	IC50	'='	920	nM
P03897	BXGT006111	NADH-ubiquinone oxidoreductase chain 3	reviewed	-	MT-ND3	IC50	'='	920	nM
P03905	BXGT006113	NADH-ubiquinone oxidoreductase chain 4	reviewed	Enzyme	MT-ND4	IC50	'='	920	nM
O43674	BXGT004610	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial	reviewed	Enzyme	NDUFB5	IC50	'='	920	nM
P51970	BXGT010912	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8	reviewed	Enzyme	NDUFA8	IC50	'='	920	nM
P03915	BXGT006114	NADH-ubiquinone oxidoreductase chain 5	reviewed	Enzyme	MT-ND5	IC50	'='	920	nM
O75306	BXGT005108	NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial	reviewed	Enzyme	NDUFS2	IC50	'='	920	nM
P03891	BXGT006110	NADH-ubiquinone oxidoreductase chain 2	reviewed	-	MT-ND2	IC50	'='	920	nM
P17568	BXGT008317	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7	reviewed	Enzyme	NDUFB7	IC50	'='	920	nM
Q86Y39	BXGT017632	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	reviewed	-	NDUFA11	IC50	'='	920	nM
O00483	BXGT003930	Cytochrome c oxidase subunit NDUFA4	reviewed	Enzyme	NDUFA4	IC50	'='	920	nM
O95139	BXGT005349	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6	reviewed	-	NDUFB6	IC50	'='	920	nM
P03886	BXGT006108	NADH-ubiquinone oxidoreductase chain 1	reviewed	Enzyme	MT-ND1	IC50	'='	920	nM
P56556	BXGT011179	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6	reviewed	Enzyme	NDUFA6	IC50	'='	920	nM
P03901	BXGT006112	NADH-ubiquinone oxidoreductase chain 4L	reviewed	Enzyme	MT-ND4L	IC50	'='	920	nM
O00217	BXGT003898	NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial	reviewed	Enzyme	NDUFS8	IC50	'='	920	nM
O95299	BXGT005372	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial	reviewed	Enzyme	NDUFA10	IC50	'='	920	nM
P03923	BXGT006115	NADH-ubiquinone oxidoreductase chain 6	reviewed	-	MT-ND6	IC50	'='	920	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05386	Aegle marmelos	Aegle marmelos	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}