PCIDB

KNApSAcK Metabolite C00002323

Metabolite

KNApSAcK Entry

id C00002323
Name Taxol B / Cephalomannine
CAS RN 71610-00-9
Standard InChI InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33+,34-,35+,36-,38-,43+,44-,45+/m0/s1
Standard InChI (Main Layer) InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL305522 CHEMBL137681 CHEMBL400128 CHEMBL1314572 CHEMBL1397662 CHEMBL1473676

KEGG

By LinkDB C10579

CTD

By CAS RN C056348

Human Protein / Gene in interaction

28 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1397662 CHEMBL1473676 CHEMBL2114784 (2)
1 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1473676 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1397662 CHEMBL1473676 CHEMBL2114843 (2) CHEMBL2114780 (2)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1473676 CHEMBL1613838 (1)
0 / 0
Q9Y468 Lethal(3)malignant brain tumor-like protein 1 Unclassified protein CHEMBL1473676 CHEMBL1614280 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1473676 CHEMBL1794401 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1473676 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1473676 CHEMBL1738588 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1473676 CHEMBL1794483 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1397662 CHEMBL1738442 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1397662 CHEMBL1473676 CHEMBL2354311 (2)
1 / 0
O00255 Menin Unclassified protein CHEMBL1314572 CHEMBL1614257 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1314572 CHEMBL1614257 (1)
1 / 3
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL305522 CHEMBL728403 (1)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL305522 CHEMBL728403 (1)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL305522 CHEMBL728403 (1)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL305522 CHEMBL728403 (1)
2 / 1
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL305522 CHEMBL728403 (1)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL305522 CHEMBL728403 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

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
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#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
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#257220 Niemann-pick disease, type c1; npc1 O15118
#610031 Polymicrogyria, symmetric or asymmetric; pmgysa Q9BVA1
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (11)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00838 Congenital fibrosis of the extraocular muscles (CFEOM) Q13509 (related)
H00268 Lissencephaly (LIS) Q71U36 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)