PCIDB

KNApSAcK Metabolite C00003755

Metabolite

KNApSAcK Entry

id C00003755
Name Squalene / Supraene / Spinacene
CAS RN 111-02-4
Standard InChI InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
Standard InChI (Main Layer) InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3

Cluster

Phytochemical cluster No. 50
KCF-S cluster No. 801

Link

ChEMBL

By standard InChI CHEMBL458402
By standard InChI Main Layer CHEMBL458402

KEGG

By LinkDB C00751

CTD

By CAS RN D013185

Species

Summary

Plant class

class name count
asterids 15
rosids 6
Euphyllophyta 1
Magnoliophyta 1
Liliopsida 1

Family (Top 10)

family name count
Lamiaceae 7
Asteraceae 5
Malvaceae 1
Clusiaceae 1
Cyatheaceae 1
Moraceae 1
Myrtaceae 1
Gentianaceae 1
Lauraceae 1
Brassicaceae 1

List (25)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Artemisia vulgaris 4220 Asteraceae asterids Viridiplantae
Baccharis spp. 41487 Asteraceae asterids Viridiplantae
Callicarpa pilosissima 21922 Lamiaceae asterids Viridiplantae
Cinnamomum subavenium MIQ. 977953 Lauraceae Magnoliophyta Viridiplantae
Cyathea podophylla 204585 Cyatheaceae Euphyllophyta Viridiplantae
Eriocephalus scariosus 99049 Asteraceae asterids Viridiplantae
Ficus septica 100573 Moraceae rosids Viridiplantae
Garcinia multiflora 1009474 Clusiaceae rosids Viridiplantae
Gentiana lutea L. 38851 Gentianaceae asterids Viridiplantae
Gymnaster koraiensis
Hydrangea chinensis 498914 Hydrangeaceae asterids Viridiplantae
Mandragora autumnalis 389206 Solanaceae asterids Viridiplantae
Melaleuca leucadendron 164925 Myrtaceae rosids Viridiplantae
Microglossa zeylandica 4210 Asteraceae asterids Viridiplantae
Neoboutonia glabrescens Prain 316724 Euphorbiaceae rosids Viridiplantae
Nidorella auriculata 72956 Asteraceae asterids Viridiplantae
Sabal blackburniana 13253 Arecaceae Liliopsida Viridiplantae
Salvia canariensis L. 49210 Lamiaceae asterids Viridiplantae
Sideritis candicans var.eriocephala 155231 Lamiaceae asterids Viridiplantae
Sideritis discolor 403019 Lamiaceae asterids Viridiplantae
Sideritis lotsyi var. mascaensis 155231 Lamiaceae asterids Viridiplantae
Sideritis soluta 155263 Lamiaceae asterids Viridiplantae
Tectona grandis 41396 Lamiaceae asterids Viridiplantae
Tilia vulgaris 64580 Malvaceae rosids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL458402 CHEMBL1614410 (1)
1 / 3

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
D013185 5444 PON1
ESA
MVCD5
PON
paraoxonase 1 (EC:3.1.1.2 3.1.8.1 3.1.1.81) Squalene inhibits the reaction [Simvastatin results in increased expression of PON1 mRNA] decreases reaction
/ increases expression
mRNA 14500290

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164

KEGG DISEASE (2)

KEGG disease name UniProt
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D009203 D013185 Myocardial Infarction therapeutic
15225664