PCIDB

KNApSAcK Metabolite C00046195

Metabolite

KNApSAcK Entry

id C00046195
Name N-Debenzoyl-N-hexanoyl-7-epi-taxol / (-)-N-Debenzoyl-N-hexanoyl-7-epi-taxol
CAS RN 156130-25-5
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-/m1/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
By standard InChI Main Layer CHEMBL306601 CHEMBL128103 CHEMBL371975 CHEMBL1479301

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

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)