KNApSAcK Metabolite C00046580
Metabolite
KNApSAcK Entry
| id | C00046580 |
|---|---|
| Name | 2'-Acetyl-epi-taxol / (-)-2'-Acetyl-epi-taxol |
| CAS RN | 172586-62-8 |
| Standard InChI | InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33?,34-,35-,37+,38-,39-,40+,42+,47-,48+,49-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56) |
Cluster
| Phytochemical cluster | No. 49 |
|---|---|
| KCF-S cluster | No. 238 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL302351 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Spermatophyta | 1 |
Family
| family name | count |
|---|---|
| Taxaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Taxus canadensis | 88032 | Taxaceae | Spermatophyta | Viridiplantae |
Human Protein / Gene in interaction
15 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q13748 | Tubulin alpha-3C/D chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| P68366 | Tubulin alpha-4A chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q9H4B7 | Tubulin beta-1 chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
1 / 0 |
| P04350 | Tubulin beta-4A chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
2 / 0 |
| Q3ZCM7 | Tubulin beta-8 chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| P07437 | Tubulin beta chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q71U36 | Tubulin alpha-1A chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
1 / 1 |
| P68371 | Tubulin beta-4B chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q13509 | Tubulin beta-3 chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
2 / 1 |
| P68363 | Tubulin alpha-1B chain | Unclassified protein | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q13885 | Tubulin beta-2A chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q6PEY2 | Tubulin alpha-3E chain | Unclassified protein | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q9BQE3 | Tubulin alpha-1C chain | Unclassified protein | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q9BUF5 | Tubulin beta-6 chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
0 / 0 |
| Q9BVA1 | Tubulin beta-2B chain | Structural | CHEMBL302351 |
CHEMBL728403
(1)
CHEMBL729968
(1)
|
1 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (7)
| OMIM | preferred title | UniProt |
|---|---|---|
| #614039 | Cortical dysplasia, complex, with other brain malformations 1; cdcbm1 |
Q13509
|
| #128101 | Dystonia 4, torsion, autosomal dominant; dyt4 |
P04350
|
| #600638 | Fibrosis of extraocular muscles, congenital, 3a, with or without extraocular involvement; cfeom3a |
Q13509
|
| #612438 | Leukodystrophy, hypomyelinating, 6; hld6 |
P04350
|
| #611603 | Lissencephaly 3; lis3 |
Q71U36
|
| #613112 | Macrothrombocytopenia, autosomal dominant, tubb1-related |
Q9H4B7
|
| #610031 | Polymicrogyria, symmetric or asymmetric; pmgysa |
Q9BVA1
|