Metabolite

KNApSAcK Entry

id C00037499
Name Methyl rosmarinate / (+)-Methyl rosmarinate
CAS RN 99353-00-1
Standard InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
Standard InChI (Main Layer) InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 749

Link

ChEMBL

By standard InChI CHEMBL241405
By standard InChI Main Layer CHEMBL241405 CHEMBL1765650

KEGG

By LinkDB

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)
P39900 Macrophage metalloelastase M10A CHEMBL241405 CHEMBL2051216 (1) CHEMBL2051222 (1)
0 / 0
P14780 Matrix metalloproteinase-9 M10A CHEMBL241405 CHEMBL2051215 (1) CHEMBL2051221 (1)
2 / 2
P03956 Interstitial collagenase M10A CHEMBL241405 CHEMBL2051212 (1) CHEMBL2051218 (1)
CHEMBL2342140 (1) CHEMBL2342141 (1)
0 / 1
P45452 Collagenase 3 M10A CHEMBL241405 CHEMBL2051217 (1) CHEMBL2051223 (1)
1 / 1
P08253 72 kDa type IV collagenase M10A CHEMBL241405 CHEMBL2051213 (1) CHEMBL2051219 (1)
1 / 3
P08254 Stromelysin-1 M10A CHEMBL241405 CHEMBL2051214 (1) CHEMBL2051220 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#614466 Coronary heart disease, susceptibility to, 6; chds6 P08254
#603932 Intervertebral disc disease; idd P14780
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253
#602111 Spondyloepimetaphyseal dysplasia, missouri type P45452

KEGG DISEASE (4)

KEGG disease name UniProt
H00028 Choriocarcinoma P03956 (related)
P08253 (related)
H00025 Penile cancer P08253 (related)
P14780 (related)
H00472 Torg-Winchester syndrome P08253 (related)
H00479 Metaphyseal dysplasias P14780 (related)
P45452 (related)