PCIDB

KNApSAcK Metabolite C00002591

Metabolite

KNApSAcK Entry

id C00002591
Name (-)-Cubebin / beta-Cubebin / (-)-beta-Cubebin / (8R,8'R,9S)-Cubebin
CAS RN 18423-69-3
Standard InChI InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 629

Link

ChEMBL

By standard InChI CHEMBL399831
By standard InChI Main Layer CHEMBL182001 CHEMBL399831

KEGG

By LinkDB C10549

CTD

By CAS RN C433065

Species

Summary

Plant class

class name count
Spermatophyta 13
asterids 11
rosids 8
Magnoliophyta 5
eudicotyledons 3

Family (Top 10)

family name count
Pinaceae 7
Acanthaceae 4
Aristolochiaceae 3
Taxaceae 3
Cupressaceae 2
Rubiaceae 2
Betulaceae 1
Ulmaceae 1
Urticaceae 1
Thymelaeaceae 1

List (40)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Abies sachalinensis 78264 Pinaceae Spermatophyta Viridiplantae
Araucaria angustifolia 56992 Araucariaceae Spermatophyta Viridiplantae
Aristolochia lagesiana 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Aristolochia pubescens 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Aristolochia triangularis 158574 Aristolochiaceae Magnoliophyta Viridiplantae
Bauhinia tarapotensis 3805 Fabaceae rosids Viridiplantae
Betula pendula 3505 Betulaceae rosids Viridiplantae
Coptis japonica var. dissecta 397412 Ranunculaceae eudicotyledons Viridiplantae
Cryptomeria japonica 3369 Cupressaceae Spermatophyta Viridiplantae
Cynomorium songaricum 627609 Cynomoriaceae eudicotyledons Viridiplantae
Fagraea racemosa 82737 Gentianaceae asterids Viridiplantae
Fitzroya cupressoides 103972 Cupressaceae Spermatophyta Viridiplantae
Gaultheria yunnanensis 13538 Ericaceae asterids Viridiplantae
Hedyotis chrysotricha 1045351 Rubiaceae asterids Viridiplantae
Heritiera littoralis 93780 Malvaceae rosids Viridiplantae
Isatis indigotica 161756 Brassicaceae rosids Viridiplantae
Justicia diffusa var. prostrata 4190 Acanthaceae asterids Viridiplantae
Justicia flava 4190 Acanthaceae asterids Viridiplantae
Justicia glauca 4190 Acanthaceae asterids Viridiplantae
Justicia tranquebariensis 4190 Acanthaceae asterids Viridiplantae
Larix dahurica 669717 Pinaceae Spermatophyta Viridiplantae
Larix leptolepis 54800 Pinaceae Spermatophyta Viridiplantae
Larix sibirica 62751 Pinaceae Spermatophyta Viridiplantae
Lychnophora ericoides 594549 Asteraceae asterids Viridiplantae
Melodinus morsei 141584 Apocynaceae asterids Viridiplantae
Picea excelsa 3329 Pinaceae Spermatophyta Viridiplantae
Pinus massoniana 88730 Pinaceae Spermatophyta Viridiplantae
Pinus sylvestris 3349 Pinaceae Spermatophyta Viridiplantae
Piper cubeba 405322 Piperaceae Magnoliophyta Viridiplantae
Reseda suffruticosa 415828 Resedaceae rosids Viridiplantae
Rubia akane 25473 Rubiaceae asterids Viridiplantae
Schisandra nigra 137467 Schisandraceae Magnoliophyta Viridiplantae
Symplocos lancifolia 239704 Symplocaceae asterids Viridiplantae
Taxus baccata 25629 Taxaceae Spermatophyta Viridiplantae
Taxus cuspidata 99806 Taxaceae Spermatophyta Viridiplantae
Taxus mairei 120273 Taxaceae Spermatophyta Viridiplantae
Tinospora smilacina 461643 Menispermaceae eudicotyledons Viridiplantae
Ulmus davidiana var. japonica 24735 Ulmaceae rosids Viridiplantae
Urtica dioica 3501 Urticaceae rosids Viridiplantae
Wikstroemia glabra 142693 Thymelaeaceae 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 CHEMBL399831 CHEMBL970954 (1)
1 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL399831 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)

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D004487 C433065 Edema therapeutic
14751317
D010146 C433065 Pain therapeutic
14751317