PCIDB

KNApSAcK Metabolite C00023770

Metabolite

KNApSAcK Entry

id C00023770
Name Sitosterol / Stigmasta-5,22-dien-3beta-ol / (24R)24-Ethylcholesta-5,22-dien-3beta-ol
CAS RN 83-46-5
Standard InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 53

Link

ChEMBL

By standard InChI CHEMBL221542
By standard InChI Main Layer CHEMBL221542 CHEMBL1398443 CHEMBL1875388

KEGG

By LinkDB C01753

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 23
asterids 14
Magnoliophyta 6
eudicotyledons 2
Embryophyta 2
Spermatophyta 2
Liliopsida 1

Family (Top 10)

family name count
Asteraceae 5
Fabaceae 5
Euphorbiaceae 4
Lamiaceae 4
Meliaceae 4
Piperaceae 2
Frullaniaceae 2
Pinaceae 2
Rutaceae 2
Amaranthaceae 2

List (59)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aristolochia pubescens 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Artemisia vulgaris 4220 Asteraceae asterids Viridiplantae
Astragalus glycyphyllos 83862 Fabaceae rosids Viridiplantae
Aureoumbra lagunensis 44058 Eukaryota
Blutaparon portulacoides 221763 Amaranthaceae eudicotyledons Viridiplantae
Brosimum acutifolium 194252 Moraceae rosids Viridiplantae
Caesalpinia pulcherrima 53846 Fabaceae rosids Viridiplantae
Centrosema pubescens 185703 Fabaceae rosids Viridiplantae
Cinnamosma madagascariensis 132965 Canellaceae Magnoliophyta Viridiplantae
Cipadessa boivinina 43896 Meliaceae rosids Viridiplantae
Cremanthodium ellisii 186945 Asteraceae asterids Viridiplantae
Croton urucurana 518879 Euphorbiaceae rosids Viridiplantae
Croton zambesicus 323089 Euphorbiaceae rosids Viridiplantae
Crotone hieronymi
Debaromyces hansenii 4959 Debaryomycetaceae Fungi
Dictamnus angustifolius 77005 Rutaceae rosids Viridiplantae
Drypetes inaequalis 20145 Putranjivaceae rosids Viridiplantae
Drypetes tessmanniana 20145 Putranjivaceae rosids Viridiplantae
Dysoxylum malabaricum 693047 Meliaceae rosids Viridiplantae
Embelia ribes Burm. 459628 Primulaceae asterids Viridiplantae
Eupatorium macrocephalum Lee. 13516 Asteraceae asterids Viridiplantae
Frullania brasiliensis 264464 Frullaniaceae Embryophyta Viridiplantae
Frullania monocera 236963 Frullaniaceae Embryophyta Viridiplantae
Fusarium sporotrichioides 5514 Nectriaceae Fungi
Glomus mosseae 27381 Glomeraceae Fungi
Glycine max 3847 Fabaceae rosids Viridiplantae
Gomphrena celosioides 217251 Amaranthaceae eudicotyledons Viridiplantae
Guarea macrophylla 155638 Meliaceae rosids Viridiplantae
Heterothalamus spartioides 382002 Asteraceae asterids Viridiplantae
Hordeum vulgare L.cv Mammut 4512 Poaceae Liliopsida Viridiplantae
Hypericum carinatum 55962 Hypericaceae rosids Viridiplantae
Hypericum japonicum 282542 Hypericaceae rosids Viridiplantae
Hyphochytrium catenoides 42384 Hyphochytriaceae Eukaryota
Jatropha weddelliana 3995 Euphorbiaceae rosids Viridiplantae
Junellia tridens 336896 Verbenaceae asterids Viridiplantae
Larix kaempferi (Lamb.) Carr 3325 Pinaceae Spermatophyta Viridiplantae
Millettia conraui 53625 Fabaceae rosids Viridiplantae
Momordica charantia 3673 Cucurbitaceae rosids Viridiplantae
Nauclea orientalis 43526 Rubiaceae asterids Viridiplantae
Neoboutonia glabrescens Prain 316724 Euphorbiaceae rosids Viridiplantae
Phyllanthus reticulatus 296037 Phyllanthaceae rosids Viridiplantae
Physarum polycephalum 5791 Physaraceae Eukaryota
Pinus taeda 3352 Pinaceae Spermatophyta Viridiplantae
Piper retrofractum Vahl. 13215 Piperaceae Magnoliophyta Viridiplantae
Piper solmsianum 538350 Piperaceae Magnoliophyta Viridiplantae
Pullularia pullulans
Robinsonecio gerberifolius 98718 Asteraceae asterids Viridiplantae
Salvia aegyptiaca 392645 Lamiaceae asterids Viridiplantae
Salvia multicaulis 21880 Lamiaceae asterids Viridiplantae
Salvia syriaca L. 21880 Lamiaceae asterids Viridiplantae
Schnabelia tetradonta 167918 Lamiaceae asterids Viridiplantae
Stemodia foliosa 225102 Plantaginaceae asterids Viridiplantae
Strachybotrys alternans
Ternstroemia gymnanthera 107827 Pentaphylacaceae asterids Viridiplantae
Tovomita brasiliensis 156484 Clusiaceae rosids Viridiplantae
Trichilia estipulata 43894 Meliaceae rosids Viridiplantae
Virola surinamensis 224910 Myristicaceae Magnoliophyta Viridiplantae
Xylopia aromatica 225838 Annonaceae Magnoliophyta Viridiplantae
Zanthoxylum culantrillo 1056470 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

17 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL221542 CHEMBL1398443 CHEMBL1000806 (1) CHEMBL1741321 (1)
1 / 0
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL221542 CHEMBL980220 (1) CHEMBL1106811 (1)
0 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL1875388 CHEMBL1794499 (1)
2 / 0
P06746 DNA polymerase beta Enzyme CHEMBL221542 CHEMBL993810 (1)
0 / 0
P08047 Transcription factor Sp1 Unclassified protein CHEMBL221542 CHEMBL1058704 (1)
0 / 0
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1398443 CHEMBL1614361 (1)
3 / 2
P08183 Multidrug resistance protein 1 drug CHEMBL221542 CHEMBL2075442 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1398443 CHEMBL1741325 (1)
0 / 1
P49841 Glycogen synthase kinase-3 beta Gsk CHEMBL221542 CHEMBL1053705 (1)
0 / 0
P00734 Prothrombin S1A CHEMBL221542 CHEMBL976587 (1)
4 / 2
P14679 Tyrosinase Oxidoreductase CHEMBL221542 CHEMBL987571 (1)
4 / 2
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1398443 CHEMBL1741322 (1)
0 / 0
P03372 Estrogen receptor NR3A1 CHEMBL221542 CHEMBL999944 (1)
1 / 1
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1398443 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL221542 CHEMBL1398443 CHEMBL1000805 (1) CHEMBL1741324 (1)
0 / 1
P80365 Corticosteroid 11-beta-dehydrogenase isozyme 2 Enzyme CHEMBL221542 CHEMBL1072765 (1)
1 / 1
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1398443 CHEMBL1614364 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (19)

OMIM preferred title UniProt
#103470 Albinism, ocular, with sensorineural deafness P14679
#203100 Albinism, oculocutaneous, type ia; oca1a P14679
#606952 Albinism, oculocutaneous, type ib; oca1b P14679
#218030 Apparent mineralocorticoid excess; ame P80365
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#615363 Estrogen resistance; estrr P03372
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#612244 Inflammatory bowel disease 13; ibd13 P08183
#614390 Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 P00734
#613679 Prothrombin deficiency, congenital P00734
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601367 Stroke, ischemic P00734
#188050 Thrombophilia due to thrombin defect; thph1 P00734

KEGG DISEASE (12)

KEGG disease name UniProt
H00223 Inherited thrombophilia P00734 (related)
H01254 Congenital prothrombin deficiency P00734 (related)
H00026 Endometrial Cancer P03372 (marker)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00038 Malignant melanoma P14679 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00259 Apparent mineralocorticoid excess syndrome P80365 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)