acompound

Showing entry for 3-Desmethylcolchicin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049133
Compound Name	3-Desmethylcolchicin
Structure
Formula	C21H23NO6
InchiKey	JRRUSQGIRBEMRN-HNNXBMFYSA-N
SMILES	COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)O)OC)N=C(O)C
Inchi	InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
IUPAC	N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular Weight	385.15
Pubchem Id	299664
Chembl Id	CHEMBL1081

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	BXGT010897	Nuclear receptor subfamily 0 group B member 1	reviewed	Nuclear receptor	NR0B1	-	>67433	-	-
reviewed	BXGT013335	Steroidogenic factor 1	reviewed	Nuclear receptor	NR5A1	-	>67433	-	-
reviewed	BXGT016212	Tubulin beta-2B chain	reviewed		TUBB2B	-	2900	-	-

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
Q6B856	BXGT016212	Tubulin beta-2B chain	reviewed	-	TUBB2B	IC50	'='	2900	nM
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Tubulin binding	'='	68	%
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Tubulin binding	'='	68	%
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Tubulin binding	'='	68	%
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Tubulin binding	'='	68	%
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Tubulin binding	'='	68	%
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Tubulin binding	'='	68	%
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Tubulin binding	'='	68	%
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Tubulin binding	'='	68	%
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Tubulin binding	'='	68	%
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Tubulin binding	'='	68	%
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Tubulin binding	'='	68	%
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Tubulin binding	'='	68	%
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Tubulin binding	'='	68	%
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Tubulin binding	'='	68	%
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Tubulin binding	'='	68	%
Q6B856	BXGT016212	Tubulin beta-2B chain	reviewed	-	TUBB2B	Tubulin binding	'='	68	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03771	Colchicum brachyphyllum	Colchicum brachyphyllum	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}