acompound

Showing entry for Caespitol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051536
Compound Name	Caespitol
Structure
Formula	C15H25Br2ClO2
InchiKey	ZAULPZAMCNCFDT-SYPGZIFDSA-N
SMILES	O[C@@H]1C[C@@H](Br)C(O[C@]1(C)[C@H]1CC[C@]([C@H](C1)Br)(C)Cl)(C)C
Inchi	InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,18)11(17)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11-,12+,14-,15+/m0/s1
IUPAC	(2R,3R,5R)-5-bromo-2-[(1S,3S,4S)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-ol
Molecular Weight	429.99
Pubchem Id	14314413
Chembl Id	CHEMBL500561

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
P06239	BXGT006427	Tyrosine-protein kinase Lck	reviewed	Kinase	LCK	Activity	-	-	-
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00955	Peucedanum graveolens	Peucedanum graveolens	Medicinal Plant
BXGF01331	Juniperus serawschanica	Juniperus serawschanica	Others
BXGF02078	Trifolium pannonicum	Trifolium pannonicum	Medicinal Plant
BXGF02789	Ladeania juncea	Ladeania juncea	Others
BXGF03624	Scutellaria glabra	Scutellaria glabra	Others
BXGF05485	Ligularia atroviolacea	Ligularia atroviolacea	Others
BXGF05695	Cymbidium aloifolium	Cymbidium aloifolium	Others
BXGF06100	Delphinium dictyocarpum	Delphinium dictyocarpum	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}