acompound

Showing entry for chamazulene carboxylic acid

General Compound Information
BXGC Id	BXGC0034909
Compound Name	chamazulene carboxylic acid
Structure
Formula	C15H16O2
InchiKey	VEHBLYQIKWPOQM-NSHDSACASA-N
SMILES	C[C@@H](c1ccc(c2c(c1)c(C)cc2)C)C(=O)O
Inchi	InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-8,11H,1-3H3,(H,16,17)/t11-/m0/s1
IUPAC	(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid
Molecular Weight	228.12
Pubchem Id	3083593
Chembl Id	CHEMBL497088

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

CHEMBL497088

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	'='	17	%
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	Inhibition	'='	43	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00895	Castanopsis eyrei	Castanopsis eyrei	Human Edible Plant
BXGF00934	Aristolochia maxima	Aristolochia maxima	Medicinal Plant
BXGF01182	Betula mandshurica	Betula mandshurica	Medicinal Plant
BXGF01247	Achillea collina	Achillea collina	Others
BXGF01415	Mikania obtusata	Mikania obtusata	Others
BXGF01440	Holarrhena febrifuga	Holarrhena febrifuga	Medicinal Plant
BXGF01501	Hypericum carinatum	Hypericum carinatum	Others
BXGF01557	Jasminum officinale	Jasminum officinale	Medicinal Plant
BXGF01715	Bergenia purpurascens	Bergenia purpurascens	Medicinal Plant
BXGF01961	Polygala myrtifolia	Polygala myrtifolia	Others
BXGF02090	Ligularia platyglossa	Ligularia platyglossa	Medicinal Plant
BXGF02128	Rhodiola krylovii	Rhodiola krylovii	Others
BXGF02224	Rapanea myricoides	Rapanea myricoides	Others
BXGF02247	Crataegus sinaica	Crataegus sinaica	Human Edible Plant
BXGF02298	Malus asiatica	Malus asiatica	Medicinal Plant
BXGF02396	Artemisia vachanica	Artemisia vachanica	Others
BXGF02411	Lasiocephalus ovatus	Lasiocephalus ovatus	Others
BXGF02417	Impatiens siculifer	Impatiens siculifer	Medicinal Plant
BXGF02427	Montrouziera sphaeroidea	Montrouziera sphaeroidea	Others
BXGF02443	Cotoneaster orbicularis	Cotoneaster orbicularis	Others
BXGF02450	Bischofia trifoliata	Bischofia trifoliata	Others
BXGF02517	Pimpinella saxifraga	Pimpinella saxifraga	Medicinal Plant
BXGF02531	Caragana tibetica	Caragana tibetica	Medicinal Plant
BXGF02538	Macrotyloma axillare	Macrotyloma axillare	Others
BXGF02539	Solanum aculeatum	Solanum aculeatum	Others
BXGF02555	Trigonostemon reidioides	Trigonostemon reidioides	Medicinal Plant
BXGF02581	Euphorbia ferganensis	Euphorbia ferganensis	Others
BXGF02594	Arachniodes dimorphophylla	Arachniodes dimorphophylla	Others
BXGF02608	Oreosolen wattii	Oreosolen wattii	Others
BXGF02742	Discaria crenata	Discaria crenata	Others
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
BXGF03472	Tropaeolum speciosum	Tropaeolum speciosum	Others
BXGF04120	Solanum bahamense	Solanum bahamense	Others
BXGF04247	Tinospora smilacina	Tinospora smilacina	Medicinal Plant
BXGF04408	Sarcomelicope argyrophylla	Sarcomelicope argyrophylla	Others
BXGF04698	Isodon rubescens	Isodon rubescens	Others
BXGF04725	Polygonum mite	Polygonum mite	Others
BXGF05740	Laetia corymbulosa	Laetia corymbulosa	Others
BXGF05751	Vatica diospyroides	Vatica diospyroides	Others
BXGF06041	Pithecellobium clypearia	Pithecellobium clypearia	Medicinal Plant
BXGF06221	Annona rensoniana	Annona rensoniana	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}