acompound

Showing entry for 10-Deacetyltaxol B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044407
Compound Name	10-Deacetyltaxol B
Structure
Formula	C43H51NO13
InchiKey	ADDGUHVEJPNWQZ-GJKIWTKTSA-N
SMILES	C/C=C(/C(=N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)O)OC(=O)C)O)c1ccccc1)O)\C
Inchi	InChI=1S/C43H51NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31-34,36,46-48,53H,19-21H2,1-7H3,(H,44,50)
IUPAC
Molecular Weight	789.34
Pubchem Id	6440548
Chembl Id	CHEMBL311251

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
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	ID50 ratio	'='	5	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	ID50 ratio	'='	5	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	ID50 ratio	'='	5	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	ID50 ratio	'='	5	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	ID50 ratio	'='	5	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	ID50 ratio	'='	5	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	ID50 ratio	'='	5	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	ID50 ratio	'='	5	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	ID50 ratio	'='	5	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	ID50 ratio	'='	5	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	ID50 ratio	'='	5	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	ID50 ratio	'='	5	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	ID50 ratio	'='	5	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	ID50 ratio	'='	5	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	ID50 ratio	'='	5	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03695	Taxus wallichiana	Taxus wallichiana	Medicinal Plant
BXGF03896	Taxus cuspidata	Taxus cuspidata	Medicinal Plant

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}