PCIDB

KNApSAcK Metabolite C00019308

Metabolite

KNApSAcK Entry

id C00019308
Name Doursterol / Daucosterin / 3-O-beta-D-Glucopyranosyl sitosterol / beta-Sitosterol 3-O-beta-D-glucopyranoside
CAS RN 474-58-8
Standard InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31+,32?,33-,34+,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 520

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL197711 CHEMBL506678 CHEMBL2304043

KEGG

By LinkDB

CTD

By CAS RN C011015

Species

Summary

Plant class

class name count
rosids 44
asterids 42
Liliopsida 10
Magnoliophyta 9
eudicotyledons 7
Euphyllophyta 4
Spermatophyta 3

Family (Top 10)

family name count
Asteraceae 14
Lamiaceae 8
Fabaceae 7
Euphorbiaceae 6
Meliaceae 4
Myrtaceae 4
Capparaceae 3
Zingiberaceae 3
Araliaceae 3
Rosaceae 3

List (120)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Achillea ageratum 282717 Asteraceae asterids Viridiplantae
Agave americana 39510 Asparagaceae Liliopsida Viridiplantae
Aglaia rubiginosa 201006 Meliaceae rosids Viridiplantae
Ajania fruticulosa 99024 Asteraceae asterids Viridiplantae
Alchornea cordifolia 316697 Euphorbiaceae rosids Viridiplantae
Alpinia blepharocalyx 105668 Zingiberaceae Liliopsida Viridiplantae
Alpinia pinnanensis 125262 Zingiberaceae Liliopsida Viridiplantae
Annona purpurea 1123437 Annonaceae Magnoliophyta Viridiplantae
Aristolochia kaempferi 158550 Aristolochiaceae Magnoliophyta Viridiplantae
Artabotrys uncinatus 225832 Annonaceae Magnoliophyta Viridiplantae
Artemisia minor 1227633 Asteraceae asterids Viridiplantae
Artemisia sieversiana 205378 Asteraceae asterids Viridiplantae
Balanophora abbreviata B1 25674 Balanophoraceae eudicotyledons Viridiplantae
Begonia nantoensis 78253 Begoniaceae rosids Viridiplantae
Beilschmiedia zenkeri 88849 Lauraceae Magnoliophyta Viridiplantae
Berberis pseudanubalata 22774 Berberidaceae eudicotyledons Viridiplantae
Borassus flabellifer 145675 Arecaceae Liliopsida Viridiplantae
Callicarpa macrophylla 536997 Lamiaceae asterids Viridiplantae
Capparis aegyptia 13394 Capparaceae rosids Viridiplantae
Capparis deserti 13394 Capparaceae rosids Viridiplantae
Capparis leucophylla 13394 Capparaceae rosids Viridiplantae
Cassia javanica 508996 Fabaceae rosids Viridiplantae
Centaurea bracteata Scop. 41503 Asteraceae asterids Viridiplantae
Centrosema pubescens 185703 Fabaceae rosids Viridiplantae
Chaenomeles japonica 320146 Rosaceae rosids Viridiplantae
Chione venosa (sw.) Urban var.venosa 24966 Rubiaceae asterids Viridiplantae
Cipadessa cinerascens 1045287 Meliaceae rosids Viridiplantae
Clusia nemorosa 180924 Clusiaceae rosids Viridiplantae
Combretum quadrangulare 99434 Combretaceae rosids Viridiplantae
Croton lechleri Mull.Arg. 100370 Euphorbiaceae rosids Viridiplantae
Croton urucurana Baill. 518879 Euphorbiaceae rosids Viridiplantae
Cryptolepis obtusa 1205722 Apocynaceae asterids Viridiplantae
Curculigo capitulata 72645 Hypoxidaceae Liliopsida Viridiplantae
Dendrobium nobile Lindl. 37818 Orchidaceae Liliopsida Viridiplantae
Dicliptera riparia 76361 Acanthaceae asterids Viridiplantae
Dioscorea spongiosa 394307 Dioscoreaceae Liliopsida Viridiplantae
Disporopsis aspera 100534 Asparagaceae Liliopsida Viridiplantae
Dryopteris crassirhizoma 97234 Dryopteridaceae Euphyllophyta Viridiplantae
Embelia ribes Burm. 459628 Primulaceae asterids Viridiplantae
Erycibe expansa 197385 Convolvulaceae asterids Viridiplantae
Eucalyptus camaldulensis var.obtusa 3932 Myrtaceae rosids Viridiplantae
Eugenia sandwicensis 119950 Myrtaceae rosids Viridiplantae
Eupatorium macrocephalum Lee. 13516 Asteraceae asterids Viridiplantae
Euphorbia boetica 1091613 Euphorbiaceae rosids Viridiplantae
Euphorbia lanata 3977 Euphorbiaceae rosids Viridiplantae
Euphorbia tinctoria 3977 Euphorbiaceae rosids Viridiplantae
Ferula persica 52470 Apiaceae asterids Viridiplantae
Ficus septica 100573 Moraceae rosids Viridiplantae
Garcinia griffithii 180106 Clusiaceae rosids Viridiplantae
Gentiana lutea L. 38851 Gentianaceae asterids Viridiplantae
Geranium macrorrhizum L. 28963 Geraniaceae rosids Viridiplantae
Gnetum cleistostachyum 3380 Gnetaceae Spermatophyta Viridiplantae
Gnetum pendulum C.Y. 3380 Gnetaceae Spermatophyta Viridiplantae
Gonospermum elegans 99056 Asteraceae asterids Viridiplantae
Gymnopetalum integrifolium 386178 Cucurbitaceae rosids Viridiplantae
Hedera nepalensis K.Koch 85358 Araliaceae asterids Viridiplantae
Heracleum granatense 40917 Apiaceae asterids Viridiplantae
Hibiscus taiwanensis 47605 Malvaceae rosids Viridiplantae
Hydrangea chinensis 498914 Hydrangeaceae asterids Viridiplantae
Hyptis brevipes 204123 Lamiaceae asterids Viridiplantae
Inula cappa 313931 Asteraceae asterids Viridiplantae
Inula racemosa 483693 Asteraceae asterids Viridiplantae
Inula viscosa 56525 Asteraceae asterids Viridiplantae
Isodon phyllostachys 662923 Lamiaceae asterids Viridiplantae
Kadsura heteroclita 124781 Schisandraceae Magnoliophyta Viridiplantae
Khaya anthotheca 124953 Meliaceae rosids Viridiplantae
Lantana camara 126435 Verbenaceae asterids Viridiplantae
Machilus zuihoensis 337466 Lauraceae Magnoliophyta Viridiplantae
Macrococculus pomiferus 1085094 Menispermaceae eudicotyledons Viridiplantae
Magnolia obovata 349509 Magnoliaceae Magnoliophyta Viridiplantae
Melianthus major 85230 Melianthaceae rosids Viridiplantae
Millettia conraui 53625 Fabaceae rosids Viridiplantae
Moghania macrophylla
Morinda citrifolia 43522 Rubiaceae asterids Viridiplantae
Morus insignis 1031565 Moraceae rosids Viridiplantae
Myrianthus arboreus 1220083 Urticaceae rosids Viridiplantae
Newbouldia laevis 211924 Bignoniaceae asterids Viridiplantae
Nuxia sphaerocephala 69069 Stilbaceae asterids Viridiplantae
Ophiorrhiza liukiuensis 489897 Rubiaceae asterids Viridiplantae
Paeonia suffruticosa 45171 Paeoniaceae eudicotyledons Viridiplantae
Panax notoginseng 44586 Araliaceae asterids Viridiplantae
Pharbitis nil 35883 Convolvulaceae asterids Viridiplantae
Phyllanthus oligospermus 586100 Phyllanthaceae rosids Viridiplantae
Picramnia latifolia 681474 Picramniaceae rosids Viridiplantae
Piper nigrum L. 13216 Piperaceae Magnoliophyta Viridiplantae
Piper umbellatum 130418 Piperaceae Magnoliophyta Viridiplantae
Piptadenia macrocarpa 148717 Fabaceae rosids Viridiplantae
Psidium guajava 120290 Myrtaceae rosids Viridiplantae
Psittacanthus cucullaris 50160 Loranthaceae eudicotyledons Viridiplantae
Pteridium aquilinum 32101 Dennstaedtiaceae Euphyllophyta Viridiplantae
Pteris multifida 170715 Pteridaceae Euphyllophyta Viridiplantae
Punica granatum 22663 Lythraceae rosids Viridiplantae
Rhus wallichi 4012 Anacardiaceae rosids Viridiplantae
Robinsonecio gerberifolius 98718 Asteraceae asterids Viridiplantae
Rourea minor 85261 Connaraceae rosids Viridiplantae
Rubus ellipticus 59492 Rosaceae rosids Viridiplantae
Salvia aethiopis 49207 Lamiaceae asterids Viridiplantae
Salvia canariensis L. 49210 Lamiaceae asterids Viridiplantae
Saraca asoca 1073321 Fabaceae rosids Viridiplantae
Satureja acinos 49986 Lamiaceae asterids Viridiplantae
Schefflera capitata Harms. 46414 Araliaceae asterids Viridiplantae
Schnabelia tetradonta 167918 Lamiaceae asterids Viridiplantae
Senecio chionophilus 18794 Asteraceae asterids Viridiplantae
Smilax china 49657 Smilacaceae Liliopsida Viridiplantae
Spiraea formosana 409510 Rosaceae rosids Viridiplantae
Stenochlaena palustris 32079 Blechnaceae Euphyllophyta Viridiplantae
Swartzia brachyrachis 53925 Fabaceae rosids Viridiplantae
Syzygium aromaticum 219868 Myrtaceae rosids Viridiplantae
Taraxacum formosanum 170733 Asteraceae asterids Viridiplantae
Taxus wallichiana 147273 Taxaceae Spermatophyta Viridiplantae
Tetracentron sinense 13715 Trochodendraceae eudicotyledons Viridiplantae
Trifolium resupinatum 97036 Fabaceae rosids Viridiplantae
Verbena brasiliensis VELL 22002 Verbenaceae asterids Viridiplantae
Viguiera decurrens 1048926 Asteraceae asterids Viridiplantae
Viscum coloratum 3971 Viscaceae eudicotyledons Viridiplantae
Vitex trifolia 204215 Lamiaceae asterids Viridiplantae
Withania somnifera 126910 Solanaceae asterids Viridiplantae
Xylocarpus granatum 241841 Meliaceae rosids Viridiplantae
Zanthoxylum armatum 67938 Rutaceae rosids Viridiplantae
Zingiber aromaticum 4650 Zingiberaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL506678 CHEMBL980220 (1)
0 / 0
P06746 DNA polymerase beta Enzyme CHEMBL506678 CHEMBL1002742 (1)
0 / 0
P08047 Transcription factor Sp1 Unclassified protein CHEMBL506678 CHEMBL1058704 (1)
0 / 0
P49841 Glycogen synthase kinase-3 beta Gsk CHEMBL506678 CHEMBL1053705 (1)
0 / 0
P00734 Prothrombin S1A CHEMBL506678 CHEMBL976587 (1)
4 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#614390 Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 P00734
#613679 Prothrombin deficiency, congenital P00734
#601367 Stroke, ischemic P00734
#188050 Thrombophilia due to thrombin defect; thph1 P00734

KEGG DISEASE (2)

KEGG disease name UniProt
H00223 Inherited thrombophilia P00734 (related)
H01254 Congenital prothrombin deficiency P00734 (related)

Diseases related to CTD interactions

3 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D002493 C011015 Central Nervous System Diseases marker/mechanism
11990449
D003072 C011015 Cognition Disorders marker/mechanism
11990449
D013118 C011015 Spinal Cord Diseases marker/mechanism
11990449