acompound

Showing entry for 3Beta-Acetoxycopalic Acid

General Compound Information
BXGC Id	BXGC0022063
Compound Name	3Beta-Acetoxycopalic Acid
Structure
Formula	C22H34O4
InchiKey	OMNJRQNCWHCCBZ-BULWIKRESA-N
SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC(=C)[C@@H]2CC/C(=C/C(=O)O)/C)C
Inchi	InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1
IUPAC	(E)-5-[(1S,4aR,6S,8aR)-6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
Molecular Weight	362.25
Pubchem Id	13858192
Chembl Id	CHEMBL3315351

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

50049429

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	BXGT011269	Taste receptor type 2 member 31	reviewed	G-protein coupled receptor	TAS2R31	-	8000	-	-

CHEMBL

CHEMBL3315351

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
P59538	BXGT011269	Taste receptor type 2 member 31	reviewed	G-protein coupled receptor	TAS2R31	IC50	'='	8000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00353	Java plum	Syzygium cumini	Fruits
BXGF01925	Pelargonium x hortorum	Pelargonium x hortorum	Human Edible Plant
BXGF02005	Polyachyrus sphaerocephalus	Polyachyrus sphaerocephalus	Others
BXGF02383	Persea obovatifolia	Persea obovatifolia	Others
BXGF02404	Pittocaulon bombycophole	Pittocaulon bombycophole	Others
BXGF03022	Afraegle paniculata	Afraegle paniculata	Medicinal Plant
BXGF03080	Cratoxylum pruniflorum	Cratoxylum pruniflorum	Medicinal Plant
BXGF03620	Cassinia subtropica	Cassinia subtropica	Others
BXGF04390	Centaurea cheiranthifolia	Centaurea cheiranthifolia	Others
BXGF04407	Sideritis lanata	Sideritis lanata	Others
BXGF04433	Lamprolobium fruticosum	Lamprolobium fruticosum	Others
BXGF04444	Erythrina burttii	Erythrina burttii	Medicinal Plant
BXGF04466	Mikania grazielae	Mikania grazielae	Others
BXGF04468	Mentha pulegium	Mentha pulegium	Medicinal Plant
BXGF04497	Laggera aurita	Laggera aurita	Medicinal Plant
BXGF04501	Viola hondoensis	Viola hondoensis	Others
BXGF04509	Rubus pungens	Rubus pungens	Medicinal Plant
BXGF04535	Pinus pumila	Pinus pumila	Medicinal Plant
BXGF04544	Piper callosum	Piper callosum	Medicinal Plant
BXGF04547	Gyrothyra underwoodiana	Gyrothyra underwoodiana	Others
BXGF04552	Dianella revoluta	Dianella revoluta	Medicinal Plant
BXGF04563	Tamarix gallica	Tamarix gallica	Medicinal Plant
BXGF04577	Poterium sanguisorba	Poterium sanguisorba	Medicinal Plant
BXGF04579	Hardwickia pinnata	Hardwickia pinnata	Others
BXGF04587	Salvia dichroa	Salvia dichroa	Others
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04617	Daphnandra johnsonii	Daphnandra johnsonii	Others
BXGF04623	Colchicum arenarium	Colchicum arenarium	Others
BXGF04630	Cladanthus arabicus	Cladanthus arabicus	Others
BXGF04635	Kokoona ochracea	Kokoona ochracea	Medicinal Plant
BXGF04675	Astragalus glycyphyllos	Astragalus glycyphyllos	Medicinal Plant
BXGF04681	Athrixia elata	Athrixia elata	Human Edible Plant
BXGF04687	Adina trichotoma	Adina trichotoma	Others
BXGF04690	Hippeastrum aulicum	Hippeastrum aulicum	Others
BXGF06209	Jacobaea argunensis	Jacobaea argunensis	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}