acompound

Showing entry for 23-hydroxytormentic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032851
Compound Name	23-hydroxytormentic acid
Structure
Formula	C30H48O6
InchiKey	YCOKATFNRPZIIU-NIZSJLHKSA-N
SMILES	OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@@H](CC1)C)C(=O)O)C)C
Inchi	InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1
IUPAC	(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	504.35
Pubchem Id	490367
Chembl Id	CHEMBL515920

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

n.a

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

CHEMBL

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01540	Rhodomyrtus tomentosa	Rhodomyrtus tomentosa	Medicinal Plant
BXGF01672	Zanthoxylum brachyacanthum	Zanthoxylum brachyacanthum	Medicinal Plant
BXGF01959	Cissus quinquefolia	Cissus quinquefolia	Others
BXGF02170	Berberis brandisiana	Berberis brandisiana	Others
BXGF02416	Melaleuca genistifolia	Melaleuca genistifolia	Others
BXGF02711	Ligularia dentata	Ligularia dentata	Medicinal Plant
BXGF02780	Eria robusta	Eria robusta	Others
BXGF02786	Rubus coreanus	Rubus coreanus	Human Edible Plant
BXGF02945	Pyracantha coccinea	Pyracantha coccinea	Medicinal Plant
BXGF04235	Rubus chingii	Rubus chingii	Food Plant
BXGF04278	Casimiroa tetrameria	Casimiroa tetrameria	Medicinal Plant
BXGF04948	Combretum quadrangulare	Combretum quadrangulare	Medicinal Plant
BXGF05169	Senecio sinuatus	Senecio sinuatus	Others
BXGF05348	Colchicum speciosum	Colchicum speciosum	Others
BXGF05831	Rosa laevigata	Rosa laevigata	Medicinal Plant
BXGF06213	Heliomeris multiflora	Heliomeris multiflora	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}