PCIDB

KNApSAcK Metabolite C00036790

Metabolite

KNApSAcK Entry

id C00036790
Name Baccatin III / (-)-Baccatin III
CAS RN 27548-93-2
Standard InChI InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
Standard InChI (Main Layer) InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL288043
By standard InChI Main Layer CHEMBL288043 CHEMBL1354786 CHEMBL1590876 CHEMBL2005552

KEGG

By LinkDB C11900

CTD

By CAS RN C073950

Human Protein / Gene in interaction

10 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1590876 CHEMBL2114784 (1)
1 / 1
P02545 Prelamin-A/C Unclassified protein CHEMBL1354786 CHEMBL1614544 (1)
11 / 10
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1354786 CHEMBL1614458 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL1590876 CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1590876 CHEMBL2114788 (1)
0 / 0
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL1590876 CHEMBL1963863 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1354786 CHEMBL1613808 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1354786 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1354786 CHEMBL1614038 (1)
2 / 2
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1354786 CHEMBL1613914 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (17)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#119900 Digital clubbing, isolated congenital P15428
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (16)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)