acompound

Showing entry for Uvaol

General Compound Information
BXGC Id	BXGC0043670
Compound Name	Uvaol
Structure
Formula	C30H50O2
InchiKey	XUARCIYIVXVTAE-ZAPOICBTSA-N
SMILES	OC[C@@]12CC[C@H]([C@@H]([C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C)C
Inchi	InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
IUPAC	(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Molecular Weight	442.38
Pubchem Id	92802
Chembl Id	CHEMBL399873

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

50218196

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	15600	-	-
reviewed	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	-	-	-	>10000

CHEMBL

CHEMBL399873

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	EC50	'>'	10000	nM
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	EC50	'='	0	nM
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	IC50	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	107	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	121	%
P80365	BXGT011895	Corticosteroid 11-beta-dehydrogenase isozyme 2	reviewed	Enzyme	HSD11B2	Activity	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	15600	nM
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	Efficacy	'='	0	%
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
BXGF01196	Elaeagnus commutata	Elaeagnus commutata	Medicinal Plant
BXGF01263	Adenopeltis colliguaya	Adenopeltis colliguaya	Others
BXGF01372	Quercus mongolica	Quercus mongolica	Medicinal Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01446	Perityle vaseyi	Perityle vaseyi	Others
BXGF01536	Veronica pectinata	Veronica pectinata	Others
BXGF01566	Pedicularis condensata	Pedicularis condensata	Others
BXGF01592	Plantago lanceolata	Plantago lanceolata	Medicinal Plant
BXGF01605	Palafoxia rosea	Palafoxia rosea	Others
BXGF01643	Chrozophora obliqua	Chrozophora obliqua	Medicinal Plant
BXGF01717	Senecio flavus	Senecio flavus	Medicinal Plant
BXGF01749	Salvia coulteri	Salvia coulteri	Others
BXGF01855	Porella swartziana	Porella swartziana	Others
BXGF01948	Meconopsis napaulensis	Meconopsis napaulensis	Medicinal Plant
BXGF01968	Rheum webbianum	Rheum webbianum	Medicinal Plant
BXGF01999	Mascarenhasia arborescens	Mascarenhasia arborescens	Others
BXGF02029	Eucalyptus flocktoniae	Eucalyptus flocktoniae	Others
BXGF02057	Kummerowia striata	Kummerowia striata	Medicinal Plant
BXGF02073	Tripodanthus acutifolius	Tripodanthus acutifolius	Medicinal Plant
BXGF02112	Thymbra spicata	Thymbra spicata	Medicinal Plant
BXGF02135	Phoebe formosana	Phoebe formosana	Others
BXGF02153	Sida cordifolia	Sida cordifolia	Medicinal Plant
BXGF02177	Croton rhamnifolius	Croton rhamnifolius	Others
BXGF02258	Millettia conraui	Millettia conraui	Medicinal Plant
BXGF02278	Centaurea seridis	Centaurea seridis	Others
BXGF02309	Flindersia brayleyana	Flindersia brayleyana	Others
BXGF02335	Satureja cuneifolia	Satureja cuneifolia	Human Edible Plant
BXGF02358	Consolida ajacis	Consolida ajacis	Medicinal Plant
BXGF02639	Rhododendron ferrugineum	Rhododendron ferrugineum	Human Edible Plant
BXGF03025	Scutellaria seleriana	Scutellaria seleriana	Others
BXGF03461	Microtropis fokienensis	Microtropis fokienensis	Others
BXGF03623	Heracleum sphondylium	Heracleum sphondylium	Medicinal Plant
BXGF03643	Cytisus scoparius	Cytisus scoparius	Medicinal Plant
BXGF03666	Bituminaria bituminosa	Bituminaria bituminosa	Medicinal Plant
BXGF03680	Aconitum brevicalcaratum	Aconitum brevicalcaratum	Others
BXGF03972	Crinum kirkii	Crinum kirkii	Medicinal Plant
BXGF04112	Euphorbia micractina	Euphorbia micractina	Others
BXGF04140	Dalbergia stipulacea	Dalbergia stipulacea	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04424	Hypericum triquetrifolium	Hypericum triquetrifolium	Medicinal Plant
BXGF05006	Ammodendron conollyi	Ammodendron conollyi	Others
BXGF05080	Jungermannia obovata	Jungermannia obovata	Others
BXGF05105	Cirsium dipsacolepis	Cirsium dipsacolepis	Medicinal Plant
BXGF05132	Mesembryanthemum anatomicum	Mesembryanthemum anatomicum	Medicinal Plant
BXGF05180	Malva sylvestris	Malva sylvestris	Medicinal Plant
BXGF05246	Viguiera annua	Viguiera annua	Others
BXGF05394	Turraeanthus mannii	Turraeanthus mannii	Others
BXGF05430	Coleus garckeanus	Coleus garckeanus	Others
BXGF05490	Solanum sisymbriifolium	Solanum sisymbriifolium	Medicinal Plant
BXGF05519	Gerbera piloselloides	Gerbera piloselloides	Medicinal Plant
BXGF05568	Eria subsessilis	Eria subsessilis	Others
BXGF05635	Cocculus diversifolius	Cocculus diversifolius	Others
BXGF05664	Myrica multiflora	Myrica multiflora	Medicinal Plant
BXGF05716	Trifolium apertum	Trifolium apertum	Others
BXGF05757	Solanum racemigerum	Solanum racemigerum	Others
BXGF05789	Teucrium pestalozzae	Teucrium pestalozzae	Others
BXGF05849	Salacia chinensis	Salacia chinensis	Medicinal Plant
BXGF06028	Knightia deplanchei	Knightia deplanchei	Others
BXGF06104	Ptilidium ciliare	Ptilidium ciliare	Others
BXGF06285	Merremia umbellata	Merremia umbellata	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}