acompound

Showing entry for Cynaropicrin

General Compound Information
BXGC Id	BXGC0043365
Compound Name	Cynaropicrin
Structure
Formula	C19H22O6
InchiKey	KHSCYOFDKADJDJ-NQLMQOPMSA-N
SMILES	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O
Inchi	InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
IUPAC	[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Molecular Weight	346.14
Pubchem Id	119093
Chembl Id	CHEMBL374146

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

50194430

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
reviewed	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	19500	-	-
reviewed	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	12100	-	-

CHEMBL

CHEMBL374146

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
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Inhibition	-	-	-
Q9HVW7	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'='	12100	nM
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	Activity	-	-	-
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'='	19500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00292	Butternut squash	Cucurbita moschata	Gourds
BXGF01070	Himalaiella deltoidea	Himalaiella deltoidea	Others
BXGF01832	Dalbergia ecastaphyllum	Dalbergia ecastaphyllum	Medicinal Plant
BXGF01910	Trachelospermum asiaticum	Trachelospermum asiaticum	Medicinal Plant
BXGF02221	Phlojodicarpus sibiricus	Phlojodicarpus sibiricus	Medicinal Plant
BXGF02397	Pithecellobium racemosum	Pithecellobium racemosum	Others
BXGF02649	Merendera sobolifera	Merendera sobolifera	Others
BXGF02859	Bulbinella floribunda	Bulbinella floribunda	Others
BXGF03117	Myoporum platycarpum	Myoporum platycarpum	Medicinal Plant
BXGF03300	Blumea eriantha	Blumea eriantha	Medicinal Plant
BXGF03374	Cipadessa fruticosa	Cipadessa fruticosa	Others
BXGF03561	Saussurea pulchella	Saussurea pulchella	Medicinal Plant
BXGF03649	Palaquium canaliculatum	Palaquium canaliculatum	Others
BXGF03665	Physalis sordida	Physalis sordida	Others
BXGF03785	Taxus drupacea	Taxus drupacea	Others
BXGF03803	Ilex brevicuspis	Ilex brevicuspis	Human Edible Plant
BXGF03831	Acrisione denticulata	Acrisione denticulata	Others
BXGF03845	Senecio heliopsis	Senecio heliopsis	Others
BXGF03851	Berberis orthobotrys	Berberis orthobotrys	Medicinal Plant
BXGF03871	Codium dwarkense	Codium dwarkense	Others
BXGF03878	Achillea biebersteinii	Achillea biebersteinii	Medicinal Plant
BXGF03904	Euphorbia formosana	Euphorbia formosana	Others
BXGF03912	Diplazium esculentum	Diplazium esculentum	Medicinal Plant
BXGF03944	Ongokea gore	Ongokea gore	Medicinal Plant
BXGF03946	Sanicula epipactis	Sanicula epipactis	Others
BXGF03958	Euonymus laxiflorus	Euonymus laxiflorus	Others
BXGF03989	Scopolia atropoides	Scopolia atropoides	Others
BXGF04005	Caryocar villosum	Caryocar villosum	Medicinal Plant
BXGF04013	Ocimum gratissimum	Ocimum gratissimum	Medicinal Plant
BXGF04019	Glochidion philippicum	Glochidion philippicum	Others
BXGF04024	Ceriops decandra	Ceriops decandra	Medicinal Plant
BXGF04027	Solidago petiolaris	Solidago petiolaris	Others
BXGF04034	Zaluzania grayana	Zaluzania grayana	Others
BXGF04052	Zanthoxylum acutifolium	Zanthoxylum acutifolium	Medicinal Plant
BXGF04071	Archidendron ellipticum	Archidendron ellipticum	Others
BXGF04082	Tabernaemontana divaricata	Tabernaemontana divaricata	Medicinal Plant
BXGF04428	Baccharis dracunculifolia	Baccharis dracunculifolia	Medicinal Plant
BXGF05516	Psorothamnus spinosus	Psorothamnus spinosus	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}