PCIDB

KNApSAcK Metabolite C00003452

Metabolite

KNApSAcK Entry

id C00003452
Name Marrubiin
CAS RN 465-92-9
Standard InChI InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 874

Link

ChEMBL

By standard InChI CHEMBL1999372
By standard InChI Main Layer CHEMBL1444915 CHEMBL1999372

KEGG

By LinkDB C09128

CTD

By CAS RN C105731

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1444915 CHEMBL2114788 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1444915 CHEMBL1738588 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1444915 CHEMBL1738442 (1)
0 / 0
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1444915 CHEMBL1738090 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1444915 CHEMBL1738090 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196

KEGG DISEASE (4)

KEGG disease name UniProt
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)