acompound

Showing entry for Spinosterol

General Compound Information
BXGC Id	BXGC0002807
Compound Name	Spinosterol
Structure
Formula	C29H48O
InchiKey	JZVFJDZBLUFKCA-FXIAWGAOSA-N
SMILES	[H]\C(=C(\[H])[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@]([H])(CC)C(C)C
Inchi	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
IUPAC	(1R,2S,5S,7S,11R,14R,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,?.011,1?]heptadec-9-en-5-ol
Molecular Weight	412.7
Pubchem Id	5281331
Chembl Id	CHEMBL487783

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

50275507

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	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	>50000	-	-
reviewed	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	>30000	-	-

CHEMBL

CHEMBL487783

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'>'	50000	nM
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'>'	30000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00018	Horseradish	Armoracia rusticana	Herbs and Spices
BXGF00178	Spinach	Spinacia oleracea	Vegetables
BXGF00292	Butternut squash	Cucurbita moschata	Gourds
BXGF00872	Equisetum hyemale	Equisetum hyemale	Medicinal Plant
BXGF01087	Impatiens balsamina	Impatiens balsamina	Medicinal Plant
BXGF01357	Ampelopsis japonica	Ampelopsis japonica	Medicinal Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02275	Trichosanthes kirilowii maxim	Trichosanthes kirilowii maxim	Others
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF02481	Prunella vulgaris	Prunella vulgaris	Medicinal Plant
BXGF03004	Pinus monophylla	Pinus monophylla	Medicinal Plant
BXGF03046	Cynanchum formosanum	Cynanchum formosanum	Others
BXGF03082	Bidens pilosa	Bidens pilosa	Medicinal Plant
BXGF03336	Lepidium graminifolium	Lepidium graminifolium	Medicinal Plant
BXGF03378	Drosera indica	Drosera indica	Medicinal Plant
BXGF03515	Astragalus bisulcatus	Astragalus bisulcatus	Medicinal Plant
BXGF03593	Pinus flexilis	Pinus flexilis	Medicinal Plant
BXGF03598	Brachyglottis bidwillii	Brachyglottis bidwillii	Others
BXGF03621	Galium mollugo	Galium mollugo	Medicinal Plant
BXGF03634	Drummondita hassellii	Drummondita hassellii	Others
BXGF03647	Aconitum napellus	Aconitum napellus	Medicinal Plant
BXGF03667	Ephedra distachya	Ephedra distachya	Medicinal Plant
BXGF03685	Typha latifolia	Typha latifolia	Medicinal Plant
BXGF03693	Aster koraiensis	Aster koraiensis	Medicinal Plant
BXGF03700	Achillea nana	Achillea nana	Human Edible Plant
BXGF03723	Senegalia mellifera	Senegalia mellifera	Medicinal Plant
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03777	Uncaria sterrophylla	Uncaria sterrophylla	Human Edible Plant
BXGF03801	Vicia amoena	Vicia amoena	Medicinal Plant
BXGF03834	Flindersia xanthoxyla	Flindersia xanthoxyla	Others
BXGF03849	Calea lantanoides	Calea lantanoides	Others
BXGF03867	Bothriocline ripensis	Bothriocline ripensis	Others
BXGF03886	Ballota limbata	Ballota limbata	Medicinal Plant
BXGF03890	Boenninghausenia albiflora	Boenninghausenia albiflora	Medicinal Plant
BXGF03895	Cibotium barometz	Cibotium barometz	Medicinal Plant
BXGF03911	Dysosma pleianthum	Dysosma pleianthum	Others
BXGF03917	Coronilla cretica	Coronilla cretica	Others
BXGF03945	Gardenia imperialis	Gardenia imperialis	Others
BXGF03955	Grindelia scorzonerifolia	Grindelia scorzonerifolia	Others
BXGF03975	Lonchocarpus atropurpureus	Lonchocarpus atropurpureus	Others
BXGF03996	Baccharoides lasiopus	Baccharoides lasiopus	Medicinal Plant
BXGF04470	Toddalia floribunda	Toddalia floribunda	Others
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04963	Equisetum hiemale	Equisetum hiemale	Medicinal Plant
BXGF05138	Ambrosia tenuifolia	Ambrosia tenuifolia	Medicinal Plant
BXGF05358	Codonopsis radix	Codonopsis radix	Others
BXGF05777	Gomesa radicans	Gomesa radicans	Others
BXGF05842	Platycodon grandiforus	Platycodon grandiforus	Others
BXGF05946	Gypsophila licentiana hand.-mazz.	Gypsophila licentiana hand.-mazz.	Others
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	Medicinal Plant
BXGF06215	Elaeodendron alluaudianum	Elaeodendron alluaudianum	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}