PCIDB

KNApSAcK Metabolite C00031129

Metabolite

KNApSAcK Entry

id C00031129
Name RA V
CAS RN 64725-24-2
Standard InChI InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)/t22-,23+,24+,30+,31+,32+/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)

Cluster

Phytochemical cluster
KCF-S cluster No. 497

Link

ChEMBL

By standard InChI CHEMBL404613
By standard InChI Main Layer CHEMBL319656 CHEMBL404613 CHEMBL1475206 CHEMBL1705256 CHEMBL2361311

KEGG

By LinkDB

CTD

By CAS RN C043547

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rubia akane 25473 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

16 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1475206 CHEMBL1741321 (1)
1 / 0
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1475206 CHEMBL1613842 (1)
4 / 2
Q99700 Ataxin-2 Unclassified protein CHEMBL1705256 CHEMBL2114784 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1475206 CHEMBL1741325 (1)
0 / 1
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1475206 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL1705256 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1705256 CHEMBL2114788 (1)
0 / 0
P42226 Signal transducer and activator of transcription 6 Unclassified protein CHEMBL1475206 CHEMBL1614338 (1) CHEMBL1614070 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1475206 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1475206 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1475206 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1705256 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1705256 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1705256 CHEMBL2354311 (1)
1 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1705256 CHEMBL2114913 (1)
0 / 3
Q06710 Paired box protein Pax-8 Unclassified protein CHEMBL1705256 CHEMBL2354215 (1) CHEMBL2354301 (1)
1 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#137800 Glioma susceptibility 1; glm1 O75874
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (9)

KEGG disease name UniProt
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
Q06710 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00032 Thyroid cancer Q06710 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)