acompound

Showing entry for Hederagenin

General Compound Information
BXGC Id	BXGC0036147
Compound Name	Hederagenin
Structure
Formula	C30H48O4
InchiKey	PGOYMURMZNDHNS-MYPRUECHSA-N
SMILES	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C
Inchi	InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
IUPAC	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	472.36
Pubchem Id	73299
Chembl Id	CHEMBL486400

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

50442880

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	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	-	891	-	-
reviewed	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	-	3802	-	-
reviewed	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	2110	-	-	-
reviewed	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	680	-	-	-

CHEMBL

CHEMBL486400

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
P15559	BXGT008139	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	NQO1	CD	'>'	20	ug ml-1
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	IC50	'='	891	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Ki	'='	680	nM
P13726	BXGT007950	Tissue factor	reviewed	Receptor	F3	IC50	'='	0	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	IC50	'='	3801	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	40	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	18	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Ki	'='	2110	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00224	Rambutan	Nephelium lappaceum	Fruits
BXGF00928	Pteris australis	Pteris australis	Others
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01138	Tulipa sylvestris	Tulipa sylvestris	Human Edible Plant
BXGF01439	Xylosalsola richteri	Xylosalsola richteri	Others
BXGF01651	Pedicularis plicata	Pedicularis plicata	Others
BXGF01686	Pulsatilla chinensis	Pulsatilla chinensis	Medicinal Plant
BXGF01735	Sonchus gummifer	Sonchus gummifer	Others
BXGF01800	Salvia palaestina	Salvia palaestina	Others
BXGF01959	Cissus quinquefolia	Cissus quinquefolia	Others
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF01998	Paeonia rockii	Paeonia rockii	Others
BXGF02020	Stephania hispidula	Stephania hispidula	Others
BXGF02168	Micranthes stellaris	Micranthes stellaris	Others
BXGF02304	Rabdosia flexicaulis	Rabdosia flexicaulis	Others
BXGF02355	Baccharis sarothroides	Baccharis sarothroides	Others
BXGF02393	Lonicera macranthoides	Lonicera macranthoides	Medicinal Plant
BXGF02458	Ipomoea hederacea	Ipomoea hederacea	Medicinal Plant
BXGF02535	Andropogon laniger	Andropogon laniger	Medicinal Plant
BXGF02686	Aristolochia manshuriensis	Aristolochia manshuriensis	Medicinal Plant
BXGF02705	Capparis flavicans	Capparis flavicans	Human Edible Plant
BXGF02711	Ligularia dentata	Ligularia dentata	Medicinal Plant
BXGF02743	Malus sieboldii	Malus sieboldii	Medicinal Plant
BXGF02835	Oxytropis pseudoglandulosa	Oxytropis pseudoglandulosa	Others
BXGF02868	Sideritis nutans	Sideritis nutans	Others
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03048	Campsis grandiflora	Campsis grandiflora	Medicinal Plant
BXGF03233	Plinia cauliflora	Plinia cauliflora	Medicinal Plant
BXGF03240	Lonicera hypoglauca	Lonicera hypoglauca	Medicinal Plant
BXGF03246	Nigella glandulifera	Nigella glandulifera	Others
BXGF03442	Rhaponticum carthamoides	Rhaponticum carthamoides	Medicinal Plant
BXGF03816	Stachyurus himalaicus	Stachyurus himalaicus	Others
BXGF03889	Lonicera fulvotomentosa	Lonicera fulvotomentosa	Medicinal Plant
BXGF04278	Casimiroa tetrameria	Casimiroa tetrameria	Medicinal Plant
BXGF04385	Vatica cinerea	Vatica cinerea	Others
BXGF04886	Boehmeria nivea	Boehmeria nivea	Medicinal Plant
BXGF04969	Xylopia brasiliensis	Xylopia brasiliensis	Others
BXGF04988	Xyris semifuscata	Xyris semifuscata	Others
BXGF05116	Uncaria guianensis	Uncaria guianensis	Medicinal Plant
BXGF05119	Rheedia acuminata	Rheedia acuminata	Human Edible Plant
BXGF05123	Ilex hainanensis	Ilex hainanensis	Others
BXGF05136	Acacia aulacocarpa	Acacia aulacocarpa	Others
BXGF05164	Aspidosperma subincanum	Aspidosperma subincanum	Medicinal Plant
BXGF05169	Senecio sinuatus	Senecio sinuatus	Others
BXGF05253	Canarium album	Canarium album	Medicinal Plant
BXGF05281	Fritillaria thunbergii	Fritillaria thunbergii	Medicinal Plant
BXGF05304	Lonicera confusa	Lonicera confusa	Medicinal Plant
BXGF05317	Melicope sarcococca	Melicope sarcococca	Others
BXGF05323	Ardisia neriifolia	Ardisia neriifolia	Others
BXGF05343	Psiadia dentata	Psiadia dentata	Others
BXGF05345	Phlomis umbrosa	Phlomis umbrosa	Medicinal Plant
BXGF05348	Colchicum speciosum	Colchicum speciosum	Others
BXGF05355	Plectranthus sylvestris	Plectranthus sylvestris	Medicinal Plant
BXGF05407	Peritassa compta	Peritassa compta	Others
BXGF05415	Eupatorium argentinum	Eupatorium argentinum	Others
BXGF05460	Bryum weigelii	Bryum weigelii	Others
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05499	Arisaema erubescens	Arisaema erubescens	Medicinal Plant
BXGF05534	Walsura chrysogyne	Walsura chrysogyne	Others
BXGF05547	Morus rubra	Morus rubra	Medicinal Plant
BXGF05609	Cryptocarya aschersoniana	Cryptocarya aschersoniana	Others
BXGF05655	Clematis angustifolia	Clematis angustifolia	Human Edible Plant
BXGF05707	Juniperus brevifolia	Juniperus brevifolia	Others
BXGF05756	Cistanche tubulosa	Cistanche tubulosa	Medicinal Plant
BXGF05831	Rosa laevigata	Rosa laevigata	Medicinal Plant
BXGF05865	Guatteria boliviana	Guatteria boliviana	Others
BXGF05973	Stenomesson miniatum	Stenomesson miniatum	Others
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	Medicinal Plant
BXGF06020	Anemone flaccida	Anemone flaccida	Medicinal Plant
BXGF06184	Plantago cornuti	Plantago cornuti	Medicinal Plant
BXGF06213	Heliomeris multiflora	Heliomeris multiflora	Others
BXGF06251	Sapindus mukorossi	Sapindus mukorossi	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}