acompound

Showing entry for Beta-Amyrin Acetate

General Compound Information
BXGC Id	BXGC0025602
Compound Name	Beta-Amyrin Acetate
Structure
Formula	C32H52O2
InchiKey	UMRPOGLIBDXFNK-ZYGITSNFSA-N
SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Inchi	InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1
IUPAC	[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Molecular Weight	468.4
Pubchem Id	92156
Chembl Id	CHEMBL489760

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

50260203

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	-	-

CHEMBL

CHEMBL489760

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	112	%
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'>'	50000	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	110	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00875	Glycosmis pseudoracemosa	Glycosmis pseudoracemosa	Medicinal Plant
BXGF00882	Convolvulus scammonia	Convolvulus scammonia	Medicinal Plant
BXGF00885	Verbascum spinosum	Verbascum spinosum	Others
BXGF00893	Operculina turpethum	Operculina turpethum	Medicinal Plant
BXGF00936	Tanacetum nubigenum	Tanacetum nubigenum	Others
BXGF00987	Viburnum furcatum	Viburnum furcatum	Medicinal Plant
BXGF01063	Corydalis persica	Corydalis persica	Others
BXGF01114	Juniperus formosana	Juniperus formosana	Medicinal Plant
BXGF01116	Benkara malabarica	Benkara malabarica	Medicinal Plant
BXGF01136	Inula grantioides	Inula grantioides	Medicinal Plant
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01308	Prumnopitys ferruginea	Prumnopitys ferruginea	Medicinal Plant
BXGF01395	Juniperus horizontalis	Juniperus horizontalis	Medicinal Plant
BXGF01419	Monanthotaxis congoensis	Monanthotaxis congoensis	Others
BXGF01459	Brachylaena ramiflora	Brachylaena ramiflora	Others
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01551	Sauropus quadrangularis	Sauropus quadrangularis	Medicinal Plant
BXGF01559	Achillea wilhelmsii	Achillea wilhelmsii	Others
BXGF01577	Strychnos spinosa	Strychnos spinosa	Medicinal Plant
BXGF01604	Primula grandiflora	Primula grandiflora	Others
BXGF01697	Dolichandrone crispa	Dolichandrone crispa	Medicinal Plant
BXGF01714	Amomum daniellii	Amomum daniellii	Others
BXGF01814	Lespedeza davidii	Lespedeza davidii	Others
BXGF01852	Plectranthus caninus	Plectranthus caninus	Medicinal Plant
BXGF01935	Lathyrus tingitanus	Lathyrus tingitanus	Human Edible Plant
BXGF01970	Rauvolfia salicifolia	Rauvolfia salicifolia	Others
BXGF01990	Balanophora japonica	Balanophora japonica	Medicinal Plant
BXGF01998	Paeonia rockii	Paeonia rockii	Others
BXGF02123	Viscum angulatum heyne	Viscum angulatum heyne	Others
BXGF02154	Sassafras officinalis	Sassafras officinalis	Others
BXGF02166	Niphogeton ternata	Niphogeton ternata	Others
BXGF02225	Backhousia angustifolia	Backhousia angustifolia	Others
BXGF02248	Juniperus ashei	Juniperus ashei	Medicinal Plant
BXGF02350	Cota tinctoria	Cota tinctoria	Medicinal Plant
BXGF02453	Cunninghamia lanceolata var. konishii	Cunninghamia lanceolata var. konishii	Others
BXGF02532	Dioscorea villosa	Dioscorea villosa	Medicinal Plant
BXGF02589	Terminalia calamansanay	Terminalia calamansanay	Medicinal Plant
BXGF02597	Styrax japonicus	Styrax japonicus	Medicinal Plant
BXGF02607	Acacia pruinosa	Acacia pruinosa	Others
BXGF02640	Spilanthes ocymifolia	Spilanthes ocymifolia	Others
BXGF02643	Cycas beddomei	Cycas beddomei	Medicinal Plant
BXGF02659	Vernonia echitifolia	Vernonia echitifolia	Others
BXGF02672	Papaver commutatum	Papaver commutatum	Medicinal Plant
BXGF02702	Arundo donax	Arundo donax	Medicinal Plant
BXGF02778	Eucalyptus exserta	Eucalyptus exserta	Others
BXGF02850	Inga paterno	Inga paterno	Human Edible Plant
BXGF02942	Arnica foliosa	Arnica foliosa	Others
BXGF02985	Stephania sasakii	Stephania sasakii	Medicinal Plant
BXGF02997	Murdannia triquetra	Murdannia triquetra	Human Edible Plant
BXGF03014	Cirsium japonicum	Cirsium japonicum	Medicinal Plant
BXGF03067	Tanacetum balsamitoides	Tanacetum balsamitoides	Others
BXGF03119	Mucuna urens	Mucuna urens	Human Edible Plant
BXGF03136	Coffea bengalensis	Coffea bengalensis	Medicinal Plant
BXGF03148	Artemisia pedemontana	Artemisia pedemontana	Others
BXGF03170	Haloxylon salicornicum	Haloxylon salicornicum	Medicinal Plant
BXGF03174	Phlomis nissolii	Phlomis nissolii	Others
BXGF03185	Dracocephalum moldavica	Dracocephalum moldavica	Medicinal Plant
BXGF03224	Eucalyptus rubida	Eucalyptus rubida	Human Edible Plant
BXGF03235	Syzygium samarangense	Syzygium samarangense	Medicinal Plant
BXGF03269	Iodes cirrhosa	Iodes cirrhosa	Others
BXGF03332	Eucalyptus kitsoni	Eucalyptus kitsoni	Others
BXGF03463	Eurya japonica	Eurya japonica	Medicinal Plant
BXGF03501	Calea cuneifolia	Calea cuneifolia	Others
BXGF03625	Alchornea cordifolia	Alchornea cordifolia	Medicinal Plant
BXGF03706	Tetradium glabrifolium	Tetradium glabrifolium	Others
BXGF04597	Notholaena lemmonii	Notholaena lemmonii	Others
BXGF04614	Aegilops geniculata	Aegilops geniculata	Others
BXGF04924	Rhododendron formosanum	Rhododendron formosanum	Others
BXGF05188	Corynanthe pachyceras	Corynanthe pachyceras	Others
BXGF05194	Acacia salicina	Acacia salicina	Medicinal Plant
BXGF05244	Elephantopus mollis	Elephantopus mollis	Medicinal Plant
BXGF05455	Peucedanum oroselinum	Peucedanum oroselinum	Others
BXGF05471	Cynoglossum amabile	Cynoglossum amabile	Medicinal Plant
BXGF05497	Eupatorium fortunei turcz	Eupatorium fortunei turcz	Others
BXGF05540	Phegopteris subaurita	Phegopteris subaurita	Others
BXGF05710	Blighia welwitschii	Blighia welwitschii	Human Edible Plant
BXGF05746	Atalantia wightii	Atalantia wightii	Others
BXGF06032	Piper marginatum	Piper marginatum	Medicinal Plant
BXGF06040	Helichrysum dendroideum	Helichrysum dendroideum	Others
BXGF06089	Hannoa undulata	Hannoa undulata	Medicinal Plant
BXGF06240	Kalanchoe blossfeldiana	Kalanchoe blossfeldiana	Others
BXGF06275	Symphyopappus compressus	Symphyopappus compressus	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}