PCIDB

KNApSAcK Metabolite C00001869

Metabolite

KNApSAcK Entry

id C00001869
Name Isoboldine / (S)-Isoboldine
CAS RN 3019-51-0
Standard InChI InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 20

Link

ChEMBL

By standard InChI CHEMBL462880
By standard InChI Main Layer CHEMBL462880

KEGG

By LinkDB C09541

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 25
Magnoliophyta 21
rosids 4

Family

family name count
Papaveraceae 15
Lauraceae 13
Annonaceae 7
Menispermaceae 5
Ranunculaceae 3
Berberidaceae 2
Euphorbiaceae 2
Fabaceae 2
Monimiaceae 1

List (50)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aconitum karacolicum 49188 Ranunculaceae eudicotyledons Viridiplantae
Aconitum saposhnikovii 49188 Ranunculaceae eudicotyledons Viridiplantae
Aniba canelilla 128591 Lauraceae Magnoliophyta Viridiplantae
Annona cherimolia 13336 Annonaceae Magnoliophyta Viridiplantae
Annona senegalensis 306945 Annonaceae Magnoliophyta Viridiplantae
Anomianthus dulcis 174962 Annonaceae Magnoliophyta Viridiplantae
Anonna salzmanii 13336 Annonaceae Magnoliophyta Viridiplantae
Berberis brandisiana 22774 Berberidaceae eudicotyledons Viridiplantae
Cardiopetalum calophyllum 22140 Annonaceae Magnoliophyta Viridiplantae
Cassytha filiformis 121073 Lauraceae Magnoliophyta Viridiplantae
Ceratocapnos palaestinus 1095358 Papaveraceae eudicotyledons Viridiplantae
Cocculus laurifolius 152359 Menispermaceae eudicotyledons Viridiplantae
Corydalis caucasia 3463 Papaveraceae eudicotyledons Viridiplantae
Corydalis cava 3463 Papaveraceae eudicotyledons Viridiplantae
Corydalis gortschakovii 3463 Papaveraceae eudicotyledons Viridiplantae
Corydalis intermedia 54425 Papaveraceae eudicotyledons Viridiplantae
Corydalis nobilis 38909 Papaveraceae eudicotyledons Viridiplantae
Corydalis solida 38914 Papaveraceae eudicotyledons Viridiplantae
Croton celtidifolius 518845 Euphorbiaceae rosids Viridiplantae
Croton lechleri Mull.Arg. 100370 Euphorbiaceae rosids Viridiplantae
Dehaasia triandra 128612 Lauraceae Magnoliophyta Viridiplantae
Erythrina abyssinica 1237573 Fabaceae rosids Viridiplantae
Erythrina poeppigiana 3841 Fabaceae rosids Viridiplantae
Glaucium arabicum 56852 Papaveraceae eudicotyledons Viridiplantae
Glaucium flavum 56853 Papaveraceae eudicotyledons Viridiplantae
Glaucium grandiflorum 56852 Papaveraceae eudicotyledons Viridiplantae
Guatteria goudotiana 295145 Annonaceae Magnoliophyta Viridiplantae
Lindera glauca 332435 Lauraceae Magnoliophyta Viridiplantae
Litsea acuminata 22042 Lauraceae Magnoliophyta Viridiplantae
Litsea cubeba 155299 Lauraceae Magnoliophyta Viridiplantae
Litsea glutinosa 136122 Lauraceae Magnoliophyta Viridiplantae
Nandina domestica 41776 Berberidaceae eudicotyledons Viridiplantae
Nectandra grandiflora 63800 Lauraceae Magnoliophyta Viridiplantae
Nectandra membranacea 128648 Lauraceae Magnoliophyta Viridiplantae
Nectandra salicifolia 128651 Lauraceae Magnoliophyta Viridiplantae
Neolitsea konishii 128654 Lauraceae Magnoliophyta Viridiplantae
Ocotea caesia 63801 Lauraceae Magnoliophyta Viridiplantae
Pachygone dasycarpa 152360 Menispermaceae eudicotyledons Viridiplantae
Papaver orientale 22694 Papaveraceae eudicotyledons Viridiplantae
Papaver pinnatifidum 3468 Papaveraceae eudicotyledons Viridiplantae
Papaver rhoeas 33128 Papaveraceae eudicotyledons Viridiplantae
Papaver setigerum 215229 Papaveraceae eudicotyledons Viridiplantae
Peumus boldus 63812 Monimiaceae Magnoliophyta Viridiplantae
Phoebe minutiflora 1053126 Lauraceae Magnoliophyta Viridiplantae
Stephania cepharantha 147243 Menispermaceae eudicotyledons Viridiplantae
Stephania excentrica 147243 Menispermaceae eudicotyledons Viridiplantae
Stephania officinarum 147243 Menispermaceae eudicotyledons Viridiplantae
Stylophorum lasiocarpum 72189 Papaveraceae eudicotyledons Viridiplantae
Thalictrum collinum 46968 Ranunculaceae eudicotyledons Viridiplantae
Xylopia vieillardi 225838 Annonaceae Magnoliophyta Viridiplantae

Human Protein / Gene in interaction

19 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL462880 CHEMBL1614110 (1)
1 / 0
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL462880 CHEMBL1613992 (1)
7 / 44
P29466 Caspase-1 C14 CHEMBL462880 CHEMBL1614523 (1) CHEMBL1614278 (1)
CHEMBL1614158 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL462880 CHEMBL1614027 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL462880 CHEMBL1614458 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL462880 CHEMBL1613910 (1) CHEMBL1614227 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL462880 CHEMBL1614038 (1)
2 / 2
P55210 Caspase-7 C14 CHEMBL462880 CHEMBL1613779 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL462880 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL462880 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL462880 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL462880 CHEMBL1614250 (1) CHEMBL1614421 (1)
CHEMBL1614502 (1)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL462880 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL462880 CHEMBL1613914 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL462880 CHEMBL1613829 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL462880 CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL462880 CHEMBL1614531 (1)
1 / 3
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL462880 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL462880 CHEMBL1613933 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (22)

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
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#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
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (55)

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)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
Q01196 (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)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00978 Thrombocytopenia (THC) Q01196 (related)
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)