acompound

Showing entry for (+)-Calanolide B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032021
Compound Name	(+)-Calanolide B
Structure
Formula	C22H26O5
InchiKey	NIDRYBLTWYFCFV-SEDUGSJDSA-N
SMILES	CCCc1cc(=O)oc2c1c1OC(C)(C)C=Cc1c1c2[C@H](O)[C@@H]([C@H](O1)C)C
Inchi	InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
IUPAC
Molecular Weight	370.18
Pubchem Id	65008
Chembl Id	CHEMBL7121

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

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	50700	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	21000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	9310	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	8870	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	830	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	810	-	-	-

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
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	50700	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	830	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	810	nM
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'='	21000	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	8870	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	9310	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02462	Calophyllum lanigerum	Calophyllum lanigerum	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}