Metabolite

KNApSAcK Entry

id C00046134
Name Metachromin A / (-)-Metachromin A
CAS RN 114466-74-9
Standard InChI InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h8,13,15,24H,3,6-7,9-12H2,1-2,4-5H3/b14-8+/t15-,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h8,13,15,24H,3,6-7,9-12H2,1-2,4-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4549

Link

ChEMBL

By standard InChI CHEMBL470685
By standard InChI Main Layer CHEMBL470685

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Thorectidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hippospongia metachromia 1162780 Thorectidae Metazoa

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P00533 Epidermal growth factor receptor TK tyrosine-protein kinase EGFR subfamily CHEMBL470685 CHEMBL2318217 (1)
1 / 11
P04626 Receptor tyrosine-protein kinase erbB-2 TK tyrosine-protein kinase EGFR subfamily CHEMBL470685 CHEMBL2318218 (1)
5 / 10

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#613659 Gastric cancer P04626
#137215 Gastric cancer, hereditary diffuse; hdgc P04626
#137800 Glioma susceptibility 1; glm1 P04626
#211980 Lung cancer P00533
P04626
#167000 Ovarian cancer P04626

KEGG DISEASE (13)

KEGG disease name UniProt
H00016 Oral cancer P00533 (related)
P00533 (marker)
H00017 Esophageal cancer P00533 (related)
H00018 Gastric cancer P00533 (related)
P04626 (related)
H00022 Bladder cancer P00533 (related)
P04626 (related)
H00028 Choriocarcinoma P00533 (related)
P04626 (related)
H00030 Cervical cancer P00533 (related)
P04626 (related)
H00042 Glioma P00533 (related)
P00533 (marker)
H00055 Laryngeal cancer P00533 (related)
P00533 (marker)
H00019 Pancreatic cancer P04626 (related)
H00026 Endometrial Cancer P04626 (related)
H00027 Ovarian cancer P04626 (related)
H00031 Breast cancer P04626 (related)
P04626 (marker)
H00046 Cholangiocarcinoma P04626 (related)