acompound

Showing entry for Lupenone

General Compound Information
BXGC Id	BXGC0044098
Compound Name	Lupenone
Structure
Formula	C30H48O
InchiKey	GRBHNQFQFHLCHO-BHMAJAPKSA-N
SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Inchi	InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
IUPAC	(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Molecular Weight	424.37
Pubchem Id	92158
Chembl Id	CHEMBL486393

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

50241944

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	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	-	-	-	>10000

CHEMBL

CHEMBL486393

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
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	Efficacy	'='	0	%
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	'='	-2	%
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	EC50	'>'	10000	nM
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'>'	10	ug ml-1
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	EC50	'='	0	nM
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'='	2	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00298	Cassava	Manihot esculenta	Vegetables
BXGF00893	Operculina turpethum	Operculina turpethum	Medicinal Plant
BXGF01054	Haemanthus toxicarius	Haemanthus toxicarius	Others
BXGF01068	Inulanthera calva	Inulanthera calva	Others
BXGF01100	Chrysolaena propinqua	Chrysolaena propinqua	Others
BXGF01215	Cirsium setosum	Cirsium setosum	Medicinal Plant
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01308	Prumnopitys ferruginea	Prumnopitys ferruginea	Medicinal Plant
BXGF01318	Nicotiana raimondii	Nicotiana raimondii	Others
BXGF01419	Monanthotaxis congoensis	Monanthotaxis congoensis	Others
BXGF01593	Maytenus chiapensis	Maytenus chiapensis	Others
BXGF01604	Primula grandiflora	Primula grandiflora	Others
BXGF01625	Nitraria tangutorum	Nitraria tangutorum	Medicinal Plant
BXGF02011	Boswellia carterii	Boswellia carterii	Medicinal Plant
BXGF02051	Senna sophera	Senna sophera	Medicinal Plant
BXGF02107	Liatris spicata	Liatris spicata	Garden Plant
BXGF02139	Scolopia chinensis	Scolopia chinensis	Others
BXGF02319	Baccharis solieri	Baccharis solieri	Others
BXGF02589	Terminalia calamansanay	Terminalia calamansanay	Medicinal Plant
BXGF02739	Calophyllum thwaitesii	Calophyllum thwaitesii	Others
BXGF02836	Senecio polyodon	Senecio polyodon	Medicinal Plant
BXGF02937	Senecio scandens	Senecio scandens	Medicinal Plant
BXGF02996	Echinocystis lobata	Echinocystis lobata	Others
BXGF03081	Cayratia japonica	Cayratia japonica	Human Edible Plant
BXGF03136	Coffea bengalensis	Coffea bengalensis	Medicinal Plant
BXGF03152	Sophora japonica	Sophora japonica	Medicinal Plant
BXGF03193	Felicia amelloides	Felicia amelloides	Others
BXGF03287	Arnica viscosa	Arnica viscosa	Others
BXGF03340	Berberis crataegina	Berberis crataegina	Human Edible Plant
BXGF03360	Paramignya griffithii	Paramignya griffithii	Medicinal Plant
BXGF03394	Aframomum alboviolaceum	Aframomum alboviolaceum	Human Edible Plant
BXGF03440	Pteris inaequalis	Pteris inaequalis	Medicinal Plant
BXGF03473	Maytenus cuzcoina	Maytenus cuzcoina	Others
BXGF03486	Calceolaria thyrsiflora	Calceolaria thyrsiflora	Others
BXGF03494	Crataegus pontica	Crataegus pontica	Medicinal Plant
BXGF03505	Helenium quadridentatum	Helenium quadridentatum	Others
BXGF03526	Athanasia dregeana	Athanasia dregeana	Others
BXGF03549	Acacia cambagei	Acacia cambagei	Human Edible Plant
BXGF03555	Aster alpinus	Aster alpinus	Garden Plant
BXGF03741	Phlomoides medicinalis	Phlomoides medicinalis	Others
BXGF03750	Cyclamen neapolitanum	Cyclamen neapolitanum	Others
BXGF03847	Thermopsis mollis	Thermopsis mollis	Others
BXGF03908	Hedysarum multijugum maxim	Hedysarum multijugum maxim	Others
BXGF04042	Daphne blagayana	Daphne blagayana	Others
BXGF04210	Baccharis minutiflora	Baccharis minutiflora	Others
BXGF04284	Heliotropium hirsutissimum	Heliotropium hirsutissimum	Others
BXGF04430	Crinum latifolium	Crinum latifolium	Medicinal Plant
BXGF04553	Melaleuca decora	Melaleuca decora	Others
BXGF04636	Vernonia tufnellae	Vernonia tufnellae	Others
BXGF04699	Coptis trifolia subsp. groenlandica	Coptis trifolia subsp. groenlandica	Medicinal Plant
BXGF05003	Cupania cinerea	Cupania cinerea	Others
BXGF05073	Alnus cordata	Alnus cordata	Human Edible Plant
BXGF05212	Trollius europaeus	Trollius europaeus	Medicinal Plant
BXGF05265	Halimium halimifolium	Halimium halimifolium	Others
BXGF05275	Artemisia austriaca	Artemisia austriaca	Others
BXGF05308	Aloe deltoideodonta	Aloe deltoideodonta	Others
BXGF05315	Sideritis flavovirens	Sideritis flavovirens	Others
BXGF05333	Mesua elegans	Mesua elegans	Others
BXGF05390	Onychopetalum amazonicum	Onychopetalum amazonicum	Others
BXGF05482	Cephalocroton cordofanus	Cephalocroton cordofanus	Human Edible Plant
BXGF05501	Bauhinia purpurea	Bauhinia purpurea	Medicinal Plant
BXGF05513	Michelia rajaniana	Michelia rajaniana	Others
BXGF05674	Lotus villosus	Lotus villosus	Others
BXGF05887	Tragopogon orientalis	Tragopogon orientalis	Human Edible Plant
BXGF05959	Aglaia foveolata	Aglaia foveolata	Others
BXGF05960	Leitneria floridana	Leitneria floridana	Others
BXGF05961	Erythrina orientalis	Erythrina orientalis	Others
BXGF05979	Heliotropium olgae	Heliotropium olgae	Others
BXGF05980	Podocarpus montanus	Podocarpus montanus	Medicinal Plant
BXGF06055	Schisandra arisanensis	Schisandra arisanensis	Medicinal Plant
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	Medicinal Plant
BXGF06089	Hannoa undulata	Hannoa undulata	Medicinal Plant
BXGF06124	Notholaena aschenborniana	Notholaena aschenborniana	Others
BXGF06194	Stevia serrata	Stevia serrata	Human Edible Plant
BXGF06226	Digitalis obscura	Digitalis obscura	Others
BXGF06275	Symphyopappus compressus	Symphyopappus compressus	Others
BXGF06280	Dysoxylum malabaricum	Dysoxylum malabaricum	Others
BXGF06294	Arum maximum	Arum maximum	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}