acompound

General Compound Information
BXGC Id	BXGC0008198
Compound Name	7-Isopropyl-1,4-dimethylazulene
Structure
Formula	C15H18
InchiKey	FWKQNCXZGNBPFD-UHFFFAOYSA-N
SMILES	CC(C)C1=CC2=C(C)C=CC2=C(C)C=C1
Inchi	InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
IUPAC	1,4-dimethyl-7-(propan-2-yl)azulene
Molecular Weight	198.3
Pubchem Id	3515
Chembl Id	CHEMBL1408759

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
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	28183	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	89125	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	49	%
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	12589	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	22387	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	3548	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	50	%
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	79432	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	25929	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00081	Fig	Ficus carica	Fruits
BXGF00103	Lichee	Litchi chinensis	Fruits
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00816	Fats and oils		Fats and oils
BXGF00895	Castanopsis eyrei	Castanopsis eyrei	Human Edible Plant
BXGF01259	Illicium difengpi	Illicium difengpi	Medicinal Plant
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01440	Holarrhena febrifuga	Holarrhena febrifuga	Medicinal Plant
BXGF01501	Hypericum carinatum	Hypericum carinatum	Others
BXGF02417	Impatiens siculifer	Impatiens siculifer	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02539	Solanum aculeatum	Solanum aculeatum	Others
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF03034	Rabdosia loxothyrsa	Rabdosia loxothyrsa	Others
BXGF03044	Eucalyptus decorticans	Eucalyptus decorticans	Others
BXGF03108	Trichomanes reniforme	Trichomanes reniforme	Others
BXGF03273	Euryops rupestris	Euryops rupestris	Others
BXGF03383	Litsea verticillata	Litsea verticillata	Medicinal Plant
BXGF04057	Abrus pulchellus	Abrus pulchellus	Medicinal Plant
BXGF04725	Polygonum mite	Polygonum mite	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05740	Laetia corymbulosa	Laetia corymbulosa	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}