PCIDB

KNApSAcK Metabolite C00002198

Metabolite

KNApSAcK Entry

id C00002198
Name Skimmianine
CAS RN 83-95-4
Standard InChI InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
Standard InChI (Main Layer) InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3

Cluster

Phytochemical cluster No. 7
KCF-S cluster No. 368

Link

ChEMBL

By standard InChI CHEMBL21396
By standard InChI Main Layer CHEMBL21396

KEGG

By LinkDB C10740

CTD

By CAS RN C035932

Species

Summary

Plant class

class name count
rosids 39
asterids 2

Family

family name count
Rutaceae 39
Apocynaceae 2
Notodontidae 1

List (42)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acronychia laurifolia 43714 Rutaceae rosids Viridiplantae
Araliopsis soyauxii 23513 Rutaceae rosids Viridiplantae
Araliopsis tabouensis 23513 Rutaceae rosids Viridiplantae
Boninia glabra 1266010 Rutaceae rosids Viridiplantae
Chloroxylon swietenia 76953 Rutaceae rosids Viridiplantae
Dictamnus albus 298346 Rutaceae rosids Viridiplantae
Dictamnus angustifolia 77005 Rutaceae rosids Viridiplantae
Dictamnus angustifolius 77005 Rutaceae rosids Viridiplantae
Ertela trifolia L. Kuntze 23513 Rutaceae rosids Viridiplantae
Esenbeckia flava 23513 Rutaceae rosids Viridiplantae
Fagara manschurica 23513 Rutaceae rosids Viridiplantae
Flindersia laevicarpa C.T.White et Francis. 43712 Rutaceae rosids Viridiplantae
Flindersia spp. 43712 Rutaceae rosids Viridiplantae
Glycosmis spp. 68543 Rutaceae rosids Viridiplantae
Haplophyllum acutifolium 452768 Rutaceae rosids Viridiplantae
Haplophyllum bucharicum Litv. 1006069 Rutaceae rosids Viridiplantae
Haplophyllum bungei 452770 Rutaceae rosids Viridiplantae
Haplophyllum dubium Eug.Kor. 266078 Rutaceae rosids Viridiplantae
Haplophyllum obtusifolium Ldb. 266078 Rutaceae rosids Viridiplantae
Haplophyllum pedicellatum 266078 Rutaceae rosids Viridiplantae
Haplophyllum pedicellatum Bge. 266078 Rutaceae rosids Viridiplantae
Haplophyllum popovii Eug.Kor. 266078 Rutaceae rosids Viridiplantae
Haplophyllum ramosissimum 1006079 Rutaceae rosids Viridiplantae
Haplophyllum spp. 266078 Rutaceae rosids Viridiplantae
Melicope semecarpifolia 697038 Rutaceae rosids Viridiplantae
Murraya spp. 43710 Rutaceae rosids Viridiplantae
Oricia suaveolens 722394 Notodontidae Metazoa
Orixa japonica 354507 Rutaceae rosids Viridiplantae
Phellodendron amurense 68554 Rutaceae rosids Viridiplantae
Ptelea trifolia 210335 Rutaceae rosids Viridiplantae
Ruta chalepensis 452790 Rutaceae rosids Viridiplantae
Ruta graveolens 37565 Rutaceae rosids Viridiplantae
Skimmia japonica 210365 Rutaceae rosids Viridiplantae
Vepris punctata 430986 Rutaceae rosids Viridiplantae
Vinca erecta Rgl.et Schmalh. 60092 Apocynaceae asterids Viridiplantae
Vinca herbacea Waldst.et Kit. 60092 Apocynaceae asterids Viridiplantae
Zanthoxylum belizense 67937 Rutaceae rosids Viridiplantae
Zanthoxylum culantrillo 1056470 Rutaceae rosids Viridiplantae
Zanthoxylum integrifoliolum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum simulans 328402 Rutaceae rosids Viridiplantae
Zanthoxylum spp. 67937 Rutaceae rosids Viridiplantae
Zanthoxylum wutaiense 697043 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

18 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL21396 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL21396 CHEMBL1613992 (1)
7 / 44
P02545 Prelamin-A/C Unclassified protein CHEMBL21396 CHEMBL1614544 (1)
11 / 10
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL21396 CHEMBL1614361 (1)
3 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL21396 CHEMBL1741325 (1)
0 / 1
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL21396 CHEMBL1614166 (1)
1 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL21396 CHEMBL1614458 (3)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL21396 CHEMBL1738606 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL21396 CHEMBL2114780 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL21396 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL21396 CHEMBL1613910 (2) CHEMBL1614227 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL21396 CHEMBL1614038 (2)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL21396 CHEMBL1738317 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL21396 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL21396 CHEMBL1614108 (2) CHEMBL1613886 (2)
CHEMBL1741324 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL21396 CHEMBL1613914 (3)
0 / 0
O00255 Menin Unclassified protein CHEMBL21396 CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL21396 CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (32)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#260500 Papilloma of choroid plexus; cpp P04637
#275210 Restrictive dermopathy, lethal P02545
#275355 Squamous cell carcinoma, head and neck; hnscc P04637

KEGG DISEASE (62)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
P04637 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (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)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
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)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (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)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)