PCIDB

KNApSAcK Metabolite C00037059

Metabolite

KNApSAcK Entry

id C00037059
Name Dimethyl lithospermate
CAS RN 54844-34-7
Standard InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4991

Link

ChEMBL

By standard InChI CHEMBL2048505
By standard InChI Main Layer CHEMBL2048505

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Salvia miltiorrhiza 226208 Lamiaceae asterids Viridiplantae

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 CHEMBL2048505 CHEMBL2051216 (1) CHEMBL2051222 (1)
0 / 0
P14780 Matrix metalloproteinase-9 M10A CHEMBL2048505 CHEMBL2051215 (1) CHEMBL2051221 (1)
2 / 2
P03956 Interstitial collagenase M10A CHEMBL2048505 CHEMBL2051212 (1) CHEMBL2051218 (1)
0 / 1
P45452 Collagenase 3 M10A CHEMBL2048505 CHEMBL2051217 (1) CHEMBL2051223 (1)
1 / 1
P08253 72 kDa type IV collagenase M10A CHEMBL2048505 CHEMBL2051213 (1) CHEMBL2051219 (1)
1 / 3
P08254 Stromelysin-1 M10A CHEMBL2048505 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)