acompound

Showing entry for Halocynthiaxanthin

General Compound Information
BXGC Id	BXGC0016334
Compound Name	Halocynthiaxanthin
Structure
Formula	C40H54O4
InchiKey	CNOIXMULOQWVGR-ABUIXNMTSA-N
SMILES	C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)C[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C#CC1=C(C)C[C@H](CC1(C)C)O)\C
Inchi	InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,40+/m1
IUPAC	(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
Molecular Weight	598.4
Pubchem Id	11966451
Chembl Id	CHEMBL450953

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

CHEMBL450953

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'='	7200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00787	Yellow pond-lily	Nuphar lutea	Herbs and Spices
BXGF01199	Shuteria involucrata var. vestita	Shuteria involucrata var. vestita	Others
BXGF01275	Euphorbia kamerunica	Euphorbia kamerunica	Medicinal Plant
BXGF01573	Eria foetida	Eria foetida	Others
BXGF01816	Agave aurea	Agave aurea	Others
BXGF01988	Encephalartos altensteinii	Encephalartos altensteinii	Human Edible Plant
BXGF02172	Cupressus lawsoniana	Cupressus lawsoniana	Others
BXGF02264	Crinum erubescens	Crinum erubescens	Others
BXGF02374	Pentzia incana	Pentzia incana	Others
BXGF02429	Kobresia nepalensis	Kobresia nepalensis	Medicinal Plant
BXGF02486	Pronephrium triphyllum	Pronephrium triphyllum	Others
BXGF02622	Excoecaria oppositifolia	Excoecaria oppositifolia	Human Edible Plant
BXGF02722	Grindelia acutifolia	Grindelia acutifolia	Others
BXGF02809	Prangos pabularia	Prangos pabularia	Medicinal Plant
BXGF02893	Trifolium subterraneum	Trifolium subterraneum	Medicinal Plant
BXGF02923	Euphorbia marginata	Euphorbia marginata	Medicinal Plant
BXGF02972	Emilia sonchifolia	Emilia sonchifolia	Medicinal Plant
BXGF02990	Crataegus davisii	Crataegus davisii	Others
BXGF03002	Gardenia collinsae	Gardenia collinsae	Others
BXGF03041	Callistemon viminalis	Callistemon viminalis	Others
BXGF03061	Pausinystalia mayumbensis	Pausinystalia mayumbensis	Others
BXGF03074	Ajuga spectabilis	Ajuga spectabilis	Others
BXGF03098	Cissus pallidiflorus	Cissus pallidiflorus	Others
BXGF03112	Ursinia abrotanifolia	Ursinia abrotanifolia	Others
BXGF03123	Selliguea feei	Selliguea feei	Others
BXGF03133	Jungermannia hyalina	Jungermannia hyalina	Others
BXGF03155	Melampodium heterophyllum	Melampodium heterophyllum	Others
BXGF03165	Simaba multiflora	Simaba multiflora	Others
BXGF03181	Baphia nitida	Baphia nitida	Medicinal Plant
BXGF03191	Litsea pulchella	Litsea pulchella	Others
BXGF03214	Astragalus tragacantha	Astragalus tragacantha	Others
BXGF03228	Teucrium oxylepis	Teucrium oxylepis	Others
BXGF03248	Ligularia muliensis	Ligularia muliensis	Others
BXGF03261	Alstroemeria revoluta	Alstroemeria revoluta	Medicinal Plant
BXGF03278	Marrubium alysson	Marrubium alysson	Others
BXGF03295	Achillea macrophylla	Achillea macrophylla	Others
BXGF03481	Eupatorium havanense	Eupatorium havanense	Others
BXGF04318	Litsea aciculata	Litsea aciculata	Others
BXGF04683	Gymnosporia senegalensis	Gymnosporia senegalensis	Medicinal Plant
BXGF05150	Stevia chamaedrys	Stevia chamaedrys	Others
BXGF06073	Trillium camschatcense	Trillium camschatcense	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}