PCIDB

KNApSAcK Metabolite C00038119

Metabolite

KNApSAcK Entry

id C00038119
Name 10-Deacetyltaxol / 10-Deacetyltaxol A
CAS RN 78432-77-6
Standard 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,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
Standard InChI (Main Layer) 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,(H,46,52)

Cluster

Phytochemical cluster No. 49
KCF-S cluster No. 238

Link

ChEMBL

By standard InChI CHEMBL302324
By standard InChI Main Layer CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL103121 CHEMBL339540 CHEMBL368328 CHEMBL370141 CHEMBL500852 CHEMBL1314931 CHEMBL1555236 CHEMBL1560237 CHEMBL1966254 CHEMBL2111849

KEGG

By LinkDB

CTD

By CAS RN C031494

Human Protein / Gene in interaction

27 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1560237 CHEMBL2114784 (1)
1 / 1
P04062 Glucosylceramidase Enzyme CHEMBL1560237 CHEMBL1613818 (1)
6 / 4
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1560237 CHEMBL1738606 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1560237 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1314931 CHEMBL1560237 CHEMBL2114780 (2)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1560237 CHEMBL1613838 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1314931 CHEMBL1560237 CHEMBL2114788 (2)
0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL1314931 CHEMBL2114810 (1)
7 / 3
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1314931 CHEMBL1560237 CHEMBL1614342 (2)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1314931 CHEMBL1560237 CHEMBL1738588 (2)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1314931 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1314931 CHEMBL1560237 CHEMBL2354311 (2)
1 / 0
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
2 / 1
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL305016 CHEMBL303257 CHEMBL302324 CHEMBL307331 CHEMBL370141 CHEMBL728403 (4) CHEMBL729968 (4)
CHEMBL864668 (2) CHEMBL864667 (2)
CHEMBL864670 (2)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (25)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#114500 Colorectal cancer; crc P84022
#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
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#137800 Glioma susceptibility 1; glm1 O75874
#612438 Leukodystrophy, hypomyelinating, 6; hld6 P04350
#611603 Lissencephaly 3; lis3 Q71U36
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#613112 Macrothrombocytopenia, autosomal dominant, tubb1-related Q9H4B7
#174800 Mccune-albright syndrome; mas P63092
#257220 Niemann-pick disease, type c1; npc1 O15118
#166350 Osseous heteroplasia, progressive; poh P63092
#168600 Parkinson disease, late-onset; pd P04062
#102200 Pituitary adenoma, growth hormone-secreting P63092
#610031 Polymicrogyria, symmetric or asymmetric; pmgysa Q9BVA1
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (11)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00838 Congenital fibrosis of the extraocular muscles (CFEOM) Q13509 (related)
H00268 Lissencephaly (LIS) Q71U36 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)