acompound

Showing entry for 10-deacetyltaxol

General Compound Information
BXGC Id	BXGC0032244
Compound Name	10-deacetyltaxol
Structure
Formula	C45H49NO13
InchiKey	TYLVGQKNNUHXIP-MHHARFCSSA-N
SMILES	CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)N=C(c3ccccc3)O)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Inchi	InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,
IUPAC
Molecular Weight	811.32
Pubchem Id	155831
Chembl Id	CHEMBL302324

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

BKR

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
G8GLP2	BXGT024654	Beta-D-xylosidase/beta-D-glucosidase	unreviewed	Lxyl-p1-2	-	-	-	-	-

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

CHEMBL302324

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	Log 1/ratio	'='	0	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Log 1/ratio	'='	0	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Log 1/ratio	'='	0	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Log 1/ratio	'='	0	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Log 1/ratio	'='	0	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Log 1/ratio	'='	0	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Log 1/ratio	'='	0	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Log 1/ratio	'='	0	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Log 1/ratio	'='	0	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Log 1/ratio	'='	0	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Log 1/ratio	'='	0	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Log 1/ratio	'='	0	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Log 1/ratio	'='	0	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Log 1/ratio	'='	0	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Log 1/ratio	'='	0	-
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Ratio ED50	'='	7	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Ratio ED50	'='	7	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Ratio ED50	'='	7	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Ratio ED50	'='	7	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Ratio ED50	'='	7	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Ratio ED50	'='	7	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Ratio ED50	'='	7	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Ratio ED50	'='	7	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Ratio ED50	'='	7	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Ratio ED50	'='	7	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Ratio ED50	'='	7	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Ratio ED50	'='	7	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Ratio ED50	'='	7	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Ratio ED50	'='	7	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Ratio ED50	'='	7	-
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	ID50 ratio	'='	1	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	ID50 ratio	'='	1	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	ID50 ratio	'='	1	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	ID50 ratio	'='	1	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	ID50 ratio	'='	1	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	ID50 ratio	'='	1	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	ID50 ratio	'='	1	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	ID50 ratio	'='	1	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	ID50 ratio	'='	1	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	ID50 ratio	'='	1	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	ID50 ratio	'='	1	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	ID50 ratio	'='	1	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	ID50 ratio	'='	1	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	ID50 ratio	'='	1	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	ID50 ratio	'='	1	-
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Ratio ED50	'='	2	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Ratio ED50	'='	2	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Ratio ED50	'='	2	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Ratio ED50	'='	2	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Ratio ED50	'='	2	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Ratio ED50	'='	2	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Ratio ED50	'='	2	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Ratio ED50	'='	2	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Ratio ED50	'='	2	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Ratio ED50	'='	2	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Ratio ED50	'='	2	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Ratio ED50	'='	2	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Ratio ED50	'='	2	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Ratio ED50	'='	2	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Ratio ED50	'='	2	-

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
BXGF05392	Taxus baccata	Taxus baccata	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}