Metabolite

KNApSAcK Entry

id C00035995
Name 10-Deacetylbaccatin III
CAS RN 32981-86-5
Standard InChI InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3

Cluster

Phytochemical cluster No. 49
KCF-S cluster No. 164

Link

ChEMBL

By standard InChI CHEMBL393912
By standard InChI Main Layer CHEMBL335975 CHEMBL393912 CHEMBL1565880 CHEMBL1713307 CHEMBL1976896

KEGG

By LinkDB C11700

CTD

By CAS RN

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1713307 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1565880 CHEMBL1713307 CHEMBL2114843 (2) CHEMBL2114780 (2)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1565880 CHEMBL2114788 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL1565880 CHEMBL1794569 (1)
1 / 1
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL1565880 CHEMBL1713307 CHEMBL1963863 (2)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1565880 CHEMBL1713307 CHEMBL2354311 (2)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc P84022
#137800 Glioma susceptibility 1; glm1 O75874
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (1)

KEGG disease name UniProt
H00403 Disorders of nucleotide excision repair Q9Y253 (related)