PCIDB

KNApSAcK Metabolite C00032496

Metabolite

KNApSAcK Entry

id C00032496
Name Viteagnusin C / (-)-Viteagnusin C
CAS RN 1123613-62-6
Standard InChI InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16-,18?,19-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3

Cluster

Phytochemical cluster No. 46
KCF-S cluster No. 118

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL294740 CHEMBL464176 CHEMBL1369540

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
Vitex agnus-castus 54477 Lamiaceae asterids Viridiplantae

Human Protein / Gene in interaction

14 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL464176 CHEMBL2114784 (1)
1 / 1
P37840 Alpha-synuclein Unclassified protein CHEMBL464176 CHEMBL2354282 (1)
4 / 2
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1369540 CHEMBL1614361 (1)
3 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1369540 CHEMBL1614027 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL464176 CHEMBL1614458 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL464176 CHEMBL1794584 (1)
2 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL464176 CHEMBL2114788 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1369540 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL464176 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL464176 CHEMBL1794483 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL464176 CHEMBL1614421 (1)
4 / 3
O00255 Menin Unclassified protein CHEMBL464176 CHEMBL1614257 (2) CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL464176 CHEMBL1614257 (2) CHEMBL1614531 (1)
1 / 3
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL464176 CHEMBL2354287 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (19)

OMIM preferred title UniProt
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#114500 Colorectal cancer; crc P84022
#127750 Dementia, lewy body; dlb P37840
#609535 Drug metabolism, poor, cyp2c19-related P33261
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#168601 Parkinson disease 1, autosomal dominant; park1 P37840
#605543 Parkinson disease 4, autosomal dominant; park4 P37840
#168600 Parkinson disease, late-onset; pd P37840
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (18)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
Q13148 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H01205 Coumarin resistance P11712 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00057 Parkinson's disease (PD) P37840 (related)
H00066 Lewy body dementia (LBD) P37840 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)