PCIDB

KNApSAcK Metabolite C00000659

Metabolite

KNApSAcK Entry

id C00000659
Name Medioresinol / (+)-Medioresinol
CAS RN 40957-99-1
Standard InChI InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 38

Link

ChEMBL

By standard InChI CHEMBL376507
By standard InChI Main Layer CHEMBL376507 CHEMBL513023

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 15
Magnoliophyta 5
rosids 5
Liliopsida 3
eudicotyledons 1

Family (Top 10)

family name count
Magnoliaceae 4
Thymelaeaceae 3
Oleaceae 3
Acanthaceae 3
Araliaceae 2
Asteraceae 1
Apiaceae 1
Araceae 1
Adoxaceae 1
Malvaceae 1

List (29)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Actinidia arguta 64478 Actinidiaceae asterids Viridiplantae
Allamanda neriifolia 403096 Apocynaceae asterids Viridiplantae
Aralia bipinnata 137934 Araliaceae asterids Viridiplantae
Bupleurum salicifolium 199751 Apiaceae asterids Viridiplantae
Daphne feddei 66679 Thymelaeaceae rosids Viridiplantae
Daphne oleoides spp. 66679 Thymelaeaceae rosids Viridiplantae
Dendrobium spp. 37818 Orchidaceae Liliopsida Viridiplantae
Dirca occidentalis 699060 Thymelaeaceae rosids Viridiplantae
Doliocarpus dentatus 640655 Dilleniaceae eudicotyledons Viridiplantae
Eleutherococcus senticosus 82096 Araliaceae asterids Viridiplantae
Eucommia ulmoides 4392 Eucommiaceae asterids Viridiplantae
Festuca argentina 464037 Poaceae Liliopsida Viridiplantae
Hibiscus cannabinus 229543 Malvaceae rosids Viridiplantae
Justicia diffusa var. prostrata 4190 Acanthaceae asterids Viridiplantae
Justicia glauca 4190 Acanthaceae asterids Viridiplantae
Justicia tranquebariensis 4190 Acanthaceae asterids Viridiplantae
Ligustrum obtusifolium 178760 Oleaceae asterids Viridiplantae
Liriodendron tulipfera 3413 Magnoliaceae Magnoliophyta Viridiplantae
Liriodendron tulipifera 3415 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia grandiflora var. rubra 3402 Magnoliaceae Magnoliophyta Viridiplantae
Magnolia kobus var. borealis 3402 Magnoliaceae Magnoliophyta Viridiplantae
Osmanthus asiaticus 93976 Oleaceae asterids Viridiplantae
Piper cubeba 405322 Piperaceae Magnoliophyta Viridiplantae
Rhaphidophora decursiva 258281 Araceae Liliopsida Viridiplantae
Rubia wallichiana DECNE 25473 Rubiaceae asterids Viridiplantae
Sambucus nigra 4202 Adoxaceae asterids Viridiplantae
Scorzonera hispanica 114289 Asteraceae asterids Viridiplantae
Syringa velutina 329226 Oleaceae asterids Viridiplantae
Tripterygium wilfordii 458696 Celastraceae rosids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL513023 CHEMBL970954 (1)
1 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL513023 CHEMBL970953 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#608902 Drug metabolism, poor, cyp2d6-related P10635

KEGG DISEASE (1)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)