acompound

Showing entry for (-)-Kaur-16-en-19-oic acid

General Compound Information
BXGC Id	BXGC0003426
Compound Name	(-)-Kaur-16-en-19-oic acid
Structure
Formula	C20H30O2
InchiKey	NIKHGUQULKYIGE-OTCXFQBHSA-N
SMILES	[H][C@@]12C[C@]3(CC1=C)CC[C@]1([H])[C@@](C)(CCC[C@@]1(C)[C@]3([H])CC2)C(O)=O
Inchi	InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
IUPAC	(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,1?.0?,?]hexadecane-5-carboxylic acid
Molecular Weight	302.46
Pubchem Id	73062
Chembl Id	CHEMBL489140

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

CHEMBL489140

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
P50172	BXGT010778	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	Hsd11b1	Inhibition	'='	82	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	20200	nM
P51661	BXGT010873	Corticosteroid 11-beta-dehydrogenase isozyme 2	reviewed	-	Hsd11b2	IC50	'='	500000	nM
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	Inhibition	'='	81	%
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	IC50	-	-	-
P80365	BXGT011895	Corticosteroid 11-beta-dehydrogenase isozyme 2	reviewed	Enzyme	HSD11B2	IC50	-	-	-
P50172	BXGT010778	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	Hsd11b1	IC50	'='	357	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	31622	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	31500	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Inhibition	'='	40	%
Q02127	BXGT012635	Dihydroorotate dehydrogenase (quinone), mitochondrial	reviewed	Enzyme	DHODH	Inhibition	'='	28	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00014	Custard apple	Annona reticulata	Fruits
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00301	Cherimoya	Annona cherimola	Fruits
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF00881	Oreoherzogia fallax	Oreoherzogia fallax	Medicinal Plant
BXGF00909	Ichthyothere terminalis	Ichthyothere terminalis	Others
BXGF01047	Piper taboganum	Piper taboganum	Others
BXGF01060	Baccharis grandicapitulata	Baccharis grandicapitulata	Others
BXGF01079	Renealmia alpinia	Renealmia alpinia	Human Edible Plant
BXGF01164	Polygala reinii	Polygala reinii	Medicinal Plant
BXGF01207	Morella pensylvanica	Morella pensylvanica	Others
BXGF01276	Delphinium giraldii	Delphinium giraldii	Medicinal Plant
BXGF01337	Stellaria media	Stellaria media	Medicinal Plant
BXGF01493	Curcuma aeruginosa	Curcuma aeruginosa	Medicinal Plant
BXGF01603	Piper brachystachyum	Piper brachystachyum	Medicinal Plant
BXGF01688	Tephroseris kirilowii	Tephroseris kirilowii	Medicinal Plant
BXGF01722	Microglossa pyrrhopappa	Microglossa pyrrhopappa	Others
BXGF01747	Adenocarpus foliolosus	Adenocarpus foliolosus	Others
BXGF01783	Ipomoea reptans	Ipomoea reptans	Medicinal Plant
BXGF01828	Retama duriaei	Retama duriaei	Others
BXGF01862	Rubia schumanniana	Rubia schumanniana	Others
BXGF01967	Senecio congestus	Senecio congestus	Medicinal Plant
BXGF02124	Papaver pseudocanescens	Papaver pseudocanescens	Others
BXGF02242	Sideritis dasygnaphala	Sideritis dasygnaphala	Others
BXGF02382	Gutierrezia dracunculoides	Gutierrezia dracunculoides	Others
BXGF02423	Psidium acutangulum	Psidium acutangulum	Human Edible Plant
BXGF02440	Beesia calthifolia	Beesia calthifolia	Others
BXGF02483	Bursera kerberi	Bursera kerberi	Others
BXGF02514	Helenium integrifolium	Helenium integrifolium	Others
BXGF02543	Rhododendron mucronulatum	Rhododendron mucronulatum	Medicinal Plant
BXGF02570	Euonymus fortunei	Euonymus fortunei	Medicinal Plant
BXGF02613	Phlomis crinita	Phlomis crinita	Medicinal Plant
BXGF02625	Crinum bulbispermum	Crinum bulbispermum	Medicinal Plant
BXGF02665	Crotalaria stolzii	Crotalaria stolzii	Others
BXGF02682	Selinum libanotis	Selinum libanotis	Others
BXGF02718	Melampodium leucanthum	Melampodium leucanthum	Others
BXGF02734	Clerodendrum trichotomum	Clerodendrum trichotomum	Medicinal Plant
BXGF02750	Juniperus scopulorum	Juniperus scopulorum	Medicinal Plant
BXGF02785	Clinacanthus nutans	Clinacanthus nutans	Medicinal Plant
BXGF02827	Alstonia angustiloba	Alstonia angustiloba	Others
BXGF02840	Lasianthaea podocephala	Lasianthaea podocephala	Others
BXGF02855	Eucalyptus albens	Eucalyptus albens	Others
BXGF02908	Pellacalyx axillaris	Pellacalyx axillaris	Others
BXGF02950	Boschniakia rossica	Boschniakia rossica	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03438	Clethra macrophylla	Clethra macrophylla	Others
BXGF03817	Coffea liberica var. dewevrei	Coffea liberica var. dewevrei	Medicinal Plant
BXGF04011	Botrychium ternatum	Botrychium ternatum	Medicinal Plant
BXGF04801	Anthoxanthum nitens	Anthoxanthum nitens	Medicinal Plant
BXGF04902	Lupinus cosentinii	Lupinus cosentinii	Others
BXGF04944	Sabal causiarum	Sabal causiarum	Others
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05318	Hedysarum gmelini	Hedysarum gmelini	Others
BXGF05465	Euploca racemosa	Euploca racemosa	Others
BXGF05676	Betula exilis	Betula exilis	Others
BXGF05861	Chromolaena arnottiana	Chromolaena arnottiana	Others
BXGF06271	Artemisia pectinata	Artemisia pectinata	Others
BXGF06307	Zephyranthes flava	Zephyranthes flava	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}