PCIDB

KNApSAcK Metabolite C00000601

Metabolite

KNApSAcK Entry

id C00000601
Name (+)-Sesamin
CAS RN 607-80-7
Standard InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 621

Link

ChEMBL

By standard InChI CHEMBL252915
By standard InChI Main Layer CHEMBL43469 CHEMBL252915 CHEMBL1572261 CHEMBL1591714 CHEMBL1708854 CHEMBL1904496 CHEMBL1968861

KEGG

By LinkDB C10882

CTD

By CAS RN C054125

Species

Summary

Plant class

class name count
rosids 45
Magnoliophyta 41
asterids 40
Spermatophyta 5
Liliopsida 1

Family (Top 10)

family name count
Rutaceae 40
Lauraceae 12
Asteraceae 12
Magnoliaceae 10
Lamiaceae 8
Piperaceae 8
Araliaceae 7
Aristolochiaceae 6
Acanthaceae 3
Cupressaceae 3

List (132)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Achillea spirokensis 13328 Asteraceae asterids Viridiplantae
Actinodaphne longifolia 128581 Lauraceae Magnoliophyta Viridiplantae
Ageratina virburnoides 102749 Asteraceae asterids Viridiplantae
Ageratum conyzoides 68299 Asteraceae asterids Viridiplantae
Amanoa oblongifolia 300943 Phyllanthaceae rosids Viridiplantae
Apollonias barbujana 128597 Lauraceae Magnoliophyta Viridiplantae
Aptosimum spinescens 91330 Scrophulariaceae asterids Viridiplantae
Aristolochia flos-avis 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Aristolochia pubescens 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Artemisia arborescens 72386 Asteraceae asterids Viridiplantae
Artemisia argentea 669119 Asteraceae asterids Viridiplantae
Artemisia capillaris 265783 Asteraceae asterids Viridiplantae
Artemisia caruifolia 496566 Asteraceae asterids Viridiplantae
Asarum heterotropoides var. mandshuricum 366665 Aristolochiaceae Magnoliophyta Viridiplantae
Asarum maximum 647436 Aristolochiaceae Magnoliophyta Viridiplantae
Asiasarum sieboldii 16727 Aristolochiaceae Magnoliophyta Viridiplantae
Asiasarum sp. 16727 Aristolochiaceae Magnoliophyta Viridiplantae
Boronella pancheri 1226050 Rutaceae rosids Viridiplantae
Bridelia retusa 283087 Phyllanthaceae rosids Viridiplantae
Calocedrus formosana 54798 Cupressaceae Spermatophyta Viridiplantae
Caryodaphnopsis baviensis 121070 Lauraceae Magnoliophyta Viridiplantae
Catalpa ovata 265497 Bignoniaceae asterids Viridiplantae
Chamaecyparis obtusa 13415 Cupressaceae Spermatophyta Viridiplantae
Chrysanthemum cinerariifolium 118510 Asteraceae asterids Viridiplantae
Cinnamomum camphora 13429 Lauraceae Magnoliophyta Viridiplantae
Cinnamomum tenuifolium 13428 Lauraceae Magnoliophyta Viridiplantae
Cleistanthus patulus 283089 Phyllanthaceae rosids Viridiplantae
Coleonema pulchellum 23551 Rutaceae rosids Viridiplantae
Cuscuta australis 267555 Convolvulaceae asterids Viridiplantae
Cuscuta japonica 81913 Convolvulaceae asterids Viridiplantae
Drimys winteri 3419 Winteraceae Magnoliophyta Viridiplantae
Eleutherococcus divaricatus var. albeofructus 50304 Araliaceae asterids Viridiplantae
Eleutherococcus divaricatus var. chiisanensis 96666 Araliaceae asterids Viridiplantae
Eleutherococcus gracilistylus 265764 Araliaceae asterids Viridiplantae
Eleutherococcus obovatus 50304 Araliaceae asterids Viridiplantae
Eleutherococcus senticosus 82096 Araliaceae asterids Viridiplantae
Eleutherococcus sessiliflorus 105886 Araliaceae asterids Viridiplantae
Endiandra xanthocarpa 128617 Lauraceae Magnoliophyta Viridiplantae
Eucalyptus citriodora 34329 Myrtaceae rosids Viridiplantae
Fagara chalybea 23513 Rutaceae rosids Viridiplantae
Fagara heitzii 23513 Rutaceae rosids Viridiplantae
Fagara macrophylla 23513 Rutaceae rosids Viridiplantae
Fagara rhetze 23513 Rutaceae rosids Viridiplantae
Fagara xanthoxyloides 23513 Rutaceae rosids Viridiplantae
Fleischmannia microstemon 102780 Asteraceae asterids Viridiplantae
Ginkgo biloba 3311 Ginkgoaceae Spermatophyta Viridiplantae
Houttuynia cordata 16752 Saururaceae Magnoliophyta Viridiplantae
Hydrocotyle sibthorpioides 4049 Araliaceae asterids Viridiplantae
Hyptis salzmanii 204122 Lamiaceae asterids Viridiplantae
Hyptis tomentosa 1140079 Lamiaceae asterids Viridiplantae
Juniperus thurifera 177241 Cupressaceae Spermatophyta Viridiplantae
Justicia hyssopifolia 4190 Acanthaceae asterids Viridiplantae
Justicia simplex 4190 Acanthaceae asterids Viridiplantae
Lancea tibetica 188317 Phrymaceae asterids Viridiplantae
Leucanthemopsis pulverulenta 133252 Asteraceae asterids Viridiplantae
Machilus glaucescens 251260 Lauraceae Magnoliophyta Viridiplantae
Machilus thunbergii 128685 Lauraceae Magnoliophyta Viridiplantae
Magnolia coco 85854 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia denudata 85856 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia grandiflora var. rubra 3402 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia kobus var. borealis 3402 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia mutabilis 3402 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia praecocissima 81865 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia pterocarpa 86734 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia stellata 54733 Magnoliaceae Magnoliophyta Viridiplantae
Melicope stipitata 77014 Rutaceae rosids Viridiplantae
Nectandra amazonumm 63800 Lauraceae Magnoliophyta Viridiplantae
Nectandra turbacensis 63810 Lauraceae Magnoliophyta Viridiplantae
Otanthus maritimus 133239 Asteraceae asterids Viridiplantae
Paulownia taiwaniana 39251 Paulowniaceae asterids Viridiplantae
Paulownia tomentosa 39353 Paulowniaceae asterids Viridiplantae
Peperomia sui 13196 Piperaceae Magnoliophyta Viridiplantae
Persea kurzii 3434 Lauraceae Magnoliophyta Viridiplantae
Phaylopsis falcisepala 4185 Acanthaceae asterids Viridiplantae
Philotheca citrina 549428 Rutaceae rosids Viridiplantae
Phoebe mexicana 128686 Lauraceae Magnoliophyta Viridiplantae
Phyllarthron comorense 260308 Bignoniaceae asterids Viridiplantae
Piper austrosinense 450283 Piperaceae Magnoliophyta Viridiplantae
Piper brachystachyum 13215 Piperaceae Magnoliophyta Viridiplantae
Piper longum 49511 Piperaceae Magnoliophyta Viridiplantae
Piper mullesua 126644 Piperaceae Magnoliophyta Viridiplantae
Piper retrofractum 130414 Piperaceae Magnoliophyta Viridiplantae
Piper sarmentosum 405319 Piperaceae Magnoliophyta Viridiplantae
Piper sylvaticum 405345 Piperaceae Magnoliophyta Viridiplantae
Raulinoa echinata 1331808 Rutaceae rosids Viridiplantae
Ruta montana 266085 Rutaceae rosids Viridiplantae
Sesamum indicum 4182 Pedaliaceae asterids Viridiplantae
Sideritis argosphacelus var. spicata 155231 Lamiaceae asterids Viridiplantae
Sideritis canariensis 155235 Lamiaceae asterids Viridiplantae
Sideritis discolor 403019 Lamiaceae asterids Viridiplantae
Sideritis kuegleriana 403023 Lamiaceae asterids Viridiplantae
Sideritis massoniana 155231 Lamiaceae asterids Viridiplantae
Sideritis tenoi 155231 Lamiaceae asterids Viridiplantae
Stemona collinsae 492015 Stemonaceae Liliopsida Viridiplantae
Strychnos cathayensis 26496 Loganiaceae asterids Viridiplantae
Talauma hodgsoni 480420 Magnoliaceae Magnoliophyta Viridiplantae
Talauma hodgsonii 480420 Magnoliaceae Magnoliophyta Viridiplantae
Taxus mairei 120273 Taxaceae Spermatophyta Viridiplantae
Virola michelii 224909 Myristicaceae Magnoliophyta Viridiplantae
Virola sebifera 224866 Myristicaceae Magnoliophyta Viridiplantae
Virola surinamensis 224910 Myristicaceae Magnoliophyta Viridiplantae
Vismia guaramirangae 198794 Hypericaceae rosids Viridiplantae
Xanthium spinosum 1053410 Asteraceae asterids Viridiplantae
Zanthoxylum acanthopodium 1056460 Rutaceae rosids Viridiplantae
Zanthoxylum alatum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum americanum 354526 Rutaceae rosids Viridiplantae
Zanthoxylum armatum 67938 Rutaceae rosids Viridiplantae
Zanthoxylum arnottianum 1322152 Rutaceae rosids Viridiplantae
Zanthoxylum bungeanum 328401 Rutaceae rosids Viridiplantae
Zanthoxylum capense 430988 Rutaceae rosids Viridiplantae
Zanthoxylum caudatum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum chalybeum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum clava-herculis 67937 Rutaceae rosids Viridiplantae
Zanthoxylum conspersipunctatum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum culantrillo 1056470 Rutaceae rosids Viridiplantae
Zanthoxylum integrifoliolum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum martinicense 883810 Rutaceae rosids Viridiplantae
Zanthoxylum naranjillo 67937 Rutaceae rosids Viridiplantae
Zanthoxylum nitidum 354528 Rutaceae rosids Viridiplantae
Zanthoxylum oxyphyllum 1056476 Rutaceae rosids Viridiplantae
Zanthoxylum petiolare 67937 Rutaceae rosids Viridiplantae
Zanthoxylum piperitum 354529 Rutaceae rosids Viridiplantae
Zanthoxylum pluviatile 67937 Rutaceae rosids Viridiplantae
Zanthoxylum podocarpum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum rhetsa 67937 Rutaceae rosids Viridiplantae
Zanthoxylum rubescens 67937 Rutaceae rosids Viridiplantae
Zanthoxylum sp. 67937 Rutaceae rosids Viridiplantae
Zanthoxylum sprucei 67937 Rutaceae rosids Viridiplantae
Zanthoxylum tetraspermum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum tingoassuiba 67937 Rutaceae rosids Viridiplantae
Zanthoxylum usambarense 67937 Rutaceae rosids Viridiplantae
Zanthoxylum valens 67937 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

20 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL43469 CHEMBL1614110 (1)
1 / 0
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1591714 CHEMBL1613842 (1)
4 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL43469 CHEMBL1614027 (1)
0 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL252915 CHEMBL1794311 (1)
2 / 3
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL1591714 CHEMBL1613800 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1708854 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL252915 CHEMBL1904496 CHEMBL2114843 (2)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL43469 CHEMBL1708854 CHEMBL1904496 CHEMBL2114788 (3)
0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL1708854 CHEMBL2114810 (1)
7 / 3
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL43469 CHEMBL252915 CHEMBL1708854 CHEMBL1904496 CHEMBL1794401 (4)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1591714 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1591714 CHEMBL1613808 (1)
0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1591714 CHEMBL1614038 (1)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1708854 CHEMBL1738588 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL43469 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1572261 CHEMBL1591714 CHEMBL1614108 (2) CHEMBL1613886 (2)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1708854 CHEMBL1904496 CHEMBL1794483 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1572261 CHEMBL1591714 CHEMBL1614421 (2) CHEMBL1614502 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL43469 CHEMBL1708854 CHEMBL1738184 (2)
0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL43469 CHEMBL252915 CHEMBL1708854 CHEMBL1904496 CHEMBL2354287 (4)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (24)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#114500 Colorectal cancer; crc P84022
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#600274 Frontotemporal dementia; ftd P10636
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#174800 Mccune-albright syndrome; mas P63092
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#166350 Osseous heteroplasia, progressive; poh P63092
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (15)

KEGG disease name UniProt
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)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (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)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)

Diseases related to CTD interactions

5 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001930 C054125 Brain Injuries therapeutic
15635186
D002375 C054125 Catalepsy therapeutic
15635186
D018476 C054125 Hypokinesia therapeutic
15635186
D020244 C054125 Infarction, Middle Cerebral Artery therapeutic
19835851
D020734 C054125 Parkinsonian Disorders therapeutic
15635186