acompound

Showing entry for Aquilarabietic acid H

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023869
Compound Name	Aquilarabietic acid H
Structure
Formula	C20H26O3
InchiKey	AXKQOCLPWRXCRI-HNBVOPMISA-N
SMILES	OC(=O)[C@]1(C)CCC[C@]2([C@H]1C[C@@H](O)c1c2ccc(c1)C(=C)C)C
Inchi	InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1
IUPAC	(1R,4aS,9R,10aR)-9-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Weight	314.19
Pubchem Id	71578077
Chembl Id	CHEMBL2333396

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
P31652	BXGT009565	Sodium-dependent serotonin transporter	reviewed	-	Slc6a4	Inhibition	'='	38	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00305	Chinese chestnut	Castanea mollissima	Nuts
BXGF00884	Eria linearifolia	Eria linearifolia	Others
BXGF01248	Pinus banksiana	Pinus banksiana	Medicinal Plant
BXGF01355	Amomum krervanh	Amomum krervanh	Medicinal Plant
BXGF01497	Polypodiodes niponica	Polypodiodes niponica	Human Edible Plant
BXGF04976	Arachniodes exilis	Arachniodes exilis	Medicinal Plant
BXGF05149	Amentotaxus argotaenia	Amentotaxus argotaenia	Others
BXGF05226	Scutia buxifolia	Scutia buxifolia	Medicinal Plant
BXGF05984	Cressa cretica	Cressa cretica	Medicinal Plant
BXGF06192	Parkia clappertoniana	Parkia clappertoniana	Human Edible Plant
BXGF06239	Pericopsis angolensis	Pericopsis angolensis	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}