PCIDB

KNApSAcK Metabolite C00046781

Metabolite

KNApSAcK Entry

id C00046781
Name Isomalyngamide A / (-)-Isomalyngamide A
CAS RN 312612-82-1
Standard InChI InChI=1S/C29H45ClN2O6/c1-6-7-8-9-11-14-24(36-3)15-12-10-13-16-27(33)31(2)21-23(20-30)17-25(37-4)18-28(34)32-22-26(38-5)19-29(32)35/h10,12,18-20,24H,6-9,11,13-17,21-22H2,1-5H3/b12-10+,23-20-,25-18+/t24-/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H45ClN2O6/c1-6-7-8-9-11-14-24(36-3)15-12-10-13-16-27(33)31(2)21-23(20-30)17-25(37-4)18-28(34)32-22-26(38-5)19-29(32)35/h10,12,18-20,24H,6-9,11,13-17,21-22H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3031

Link

ChEMBL

By standard InChI CHEMBL2147270
By standard InChI Main Layer CHEMBL1357867 CHEMBL2147270

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Lyngbya majuscula 158786 Bacteria

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1357867 CHEMBL1738132 (1) CHEMBL2114753 (1)
7 / 44
Q99700 Ataxin-2 Unclassified protein CHEMBL1357867 CHEMBL2114784 (1)
1 / 1
Q13315 Serine-protein kinase ATM Atypical serine/threonine protein kinase PIKK subfamily CHEMBL1357867 CHEMBL1614153 (1)
1 / 4
P07550 Beta-2 adrenergic receptor Adrenergic receptor CHEMBL1357867 CHEMBL1738166 (1)
0 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1357867 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1357867 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL1357867 CHEMBL1794569 (1)
1 / 1
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1357867 CHEMBL1794401 (1)
0 / 0
P51843 Nuclear receptor subfamily 0 group B member 1 Nuclear hormone receptor subfamily 0 group B member 1 CHEMBL1357867 CHEMBL2354292 (1)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1357867 CHEMBL1738588 (1) CHEMBL1738317 (1)
CHEMBL2114929 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1357867 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1357867 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1357867 CHEMBL2354311 (1)
1 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme CHEMBL1357867 CHEMBL1963966 (1)
0 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1357867 CHEMBL2114913 (1)
0 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

OMIM preferred title UniProt
#300018 46,xy sex reversal 2; srxy2 P51843
#300200 Adrenal hypoplasia, congenital; ahc P51843
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#208900 Ataxia-telangiectasia; at Q13315
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114500 Colorectal cancer; crc P84022
#133239 Esophageal cancer P04637
#137800 Glioma susceptibility 1; glm1 O75874
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#211980 Lung cancer P04637
#260500 Papilloma of choroid plexus; cpp P04637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (48)

KEGG disease name UniProt
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
Q13315 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00079 Asthma P07550 (related)
H00552 Glycerol kinase deficiency (GKD) P51843 (related)
H00607 46,XY disorders of sex development (Disorders of gonadal development) P51843 (related)
H00064 Ataxia telangiectasia (AT) Q13315 (related)
H00094 DNA repair defects Q13315 (related)
H00848 Ataxia with ocular apraxia (AOA) Q13315 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)