Showing entry for Octane


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000438
Compound NameOctane
Structure
FormulaC8H18
InchiKeyTVMXDCGIABBOFY-UHFFFAOYSA-N
SMILESCCCCCCCC
InchiInChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
IUPACoctane
Molecular Weight114.23
Pubchem Id356
Chembl IdCHEMBL134886
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 OCT
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
P05132 BXGT006324 cAMP-dependent protein kinase catalytic subunit alpha reviewed Prkaca - - - - -
P02945 BXGT005997 Bacteriorhodopsin reviewed bop - - - - -
Q8ZRP8 BXGT019249 H(+)/Cl(-) exchange transporter ClcA reviewed clcA - - - - -
Q9NZD2 BXGT021270 Glycolipid transfer protein reviewed GLTP Transporter - - - -
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - - - - -
P00517 BXGT005568 cAMP-dependent protein kinase catalytic subunit alpha reviewed PRKACA - - - - -
P06129 BXGT006413 Vitamin B12 transporter BtuB reviewed btuB - - - - -
Q9X4B7 BXGT022141 Putative outer membrane lipoprotein Wza unreviewed wza - - - - -
Q9AE79 BXGT020056 Outer membrane protein unreviewed opc - - - - -
P69856 BXGT011645 Probable N-acetylneuraminic acid outer membrane channel protein NanC reviewed nanC - - - - -
Q9K597 BXGT020876 Membrane protein unreviewed ompC - - - - -
Q8GNN6 BXGT018172 Uncharacterized protein unreviewed BUE81_04000 - - - - -
P32099 BXGT009599 Lipoate-protein ligase A reviewed lplA - - - - -
Q96242 BXGT019595 Allene oxide synthase, chloroplastic reviewed CYP74A - - - - -
P31224 BXGT009517 Multidrug efflux pump subunit AcrB reviewed acrB - - - - -
Q934G3 BXGT019469 Oligogalacturonate-specific porin KdgM reviewed kdgM - - - - -
P83796 BXGT012011 Cytochrome b6-f complex subunit 7 reviewed petM - - - - -
P0A3Y1 BXGT007020 Cytochrome b6-f complex subunit 7 reviewed petM - - - - -
P23694 BXGT008897 Serralysin reviewed - - - - -
P0C0S1 BXGT007389 Small-conductance mechanosensitive channel reviewed mscS - - - - -
G3CEP6 BXGT003468 Rhodopsin I unreviewed aopI - - - - -
W8VZW3 BXGT022636 Chloride pumping rhodopsin unreviewed ClR - - - - -
B0R5N9 BXGT001849 Bacteriorhodopsin unreviewed bop - - - - -
Q9I527 BXGT020746 Ferric enterobactin receptor PirA unreviewed pirA - - - - -
Q659I5 BXGT016144 MOMP porin unreviewed momp - - - - -
P15128 BXGT008086 Cytochrome P450 4B1 reviewed CYP4B1 - - - - -
P21796 BXGT008690 Voltage-dependent anion-selective channel protein 1 reviewed VDAC1 - - - - -
P0AEY8 BXGT007336 Multidrug transporter MdfA reviewed mdfA - - - - -
G8DI69 BXGT024518 Uncharacterized protein unreviewed PGAG_00290 - - - - -
O67854 BXGT005012 Na(+):neurotransmitter symporter (Snf family) unreviewed snf - - - - -
P02718 BXGT005931 Acetylcholine receptor subunit delta reviewed chrnd - - - - -
P97438 BXGT012206 Potassium channel subfamily K member 2 reviewed Kcnk2 - - - - -
A0A3A9Y7Q2 BXGT025940 DASS family sodium-coupled anion symporter unreviewed D7H66_01865 - - - - -
A0A0H3AG83 BXGT025941 Transporter, NadC family unreviewed VC0395_0108 - - - - -
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 CHEMBL134886
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF00303 Chia Salvia hispanica Herbs and Spices
BXGF00806 Alcoholic beverages Beverages
BXGF00829 Green bell pepper Capsicum annuum Vegetables
BXGF00830 Yellow bell pepper Capsicum annuum Vegetables
BXGF00831 Orange bell pepper Capsicum annuum Vegetables
BXGF00832 Red bell pepper Capsicum annuum Vegetables
BXGF00998 Syncarpia hillii Syncarpia hillii Others
BXGF01140 Angelica gigas Angelica gigas 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
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02333 Saposhnikovia divaricata Saposhnikovia divaricata Medicinal Plant
BXGF02663 Atalantia racemosa Atalantia racemosa Medicinal Plant
BXGF03342 Buddleja cordata Buddleja cordata Others
BXGF03435 Angelica pubescens Angelica pubescens Medicinal Plant
BXGF03747 Millettia erythrocalyx Millettia erythrocalyx Medicinal Plant
BXGF03814 Juniperus rigida var. conferta Juniperus rigida var. conferta Medicinal Plant
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03978 Hoffmannia strigillosa Hoffmannia strigillosa Others
BXGF04820 Panax ginseng Panax ginseng 0
BXGF04842 Angelica acutiloba Angelica acutiloba Medicinal Plant
BXGF05269 Hypericum perforatum Hypericum perforatum Medicinal Plant
BXGF05560 Crambe tatarica Crambe tatarica 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