PCIDB

KNApSAcK Metabolite C00040456

Metabolite

KNApSAcK Entry

id C00040456
Name Taxol C / (-)-Taxol C
CAS RN 153415-45-3
Standard InChI InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1
Standard InChI (Main Layer) InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL306601
By standard InChI Main Layer CHEMBL306601 CHEMBL128103 CHEMBL371975 CHEMBL1479301

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

25 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1479301 CHEMBL1738312 (1)
0 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1479301 CHEMBL2114784 (1)
1 / 1
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL1479301 CHEMBL1794585 (1)
0 / 0
P08183 Multidrug resistance protein 1 drug CHEMBL306601 CHEMBL371975 CHEMBL864672 (2)
1 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1479301 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1479301 CHEMBL2114780 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1479301 CHEMBL1613838 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1479301 CHEMBL1614342 (1)
1 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1479301 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1479301 CHEMBL2354311 (1)
1 / 0
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
2 / 1
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL306601 CHEMBL371975 CHEMBL728403 (1) CHEMBL864668 (2)
CHEMBL864667 (2) CHEMBL864670 (2)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (13)

OMIM preferred title UniProt
#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
#137800 Glioma susceptibility 1; glm1 O75874
#612244 Inflammatory bowel disease 13; ibd13 P08183
#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
#257220 Niemann-pick disease, type c1; npc1 O15118
#610031 Polymicrogyria, symmetric or asymmetric; pmgysa Q9BVA1
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (4)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00838 Congenital fibrosis of the extraocular muscles (CFEOM) Q13509 (related)
H00268 Lissencephaly (LIS) Q71U36 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)