PCIDB

KNApSAcK Metabolite C00003047

Metabolite

KNApSAcK Entry

id C00003047
Name Linalool / (R)-linalool / (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol
CAS RN 78-70-6
Standard InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
Standard InChI (Main Layer) InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3

Cluster

Phytochemical cluster No. 34
KCF-S cluster No. 958

Link

ChEMBL

By standard InChI CHEMBL235672
By standard InChI Main Layer CHEMBL25306 CHEMBL235672

KEGG

By LinkDB C11388

CTD

By CAS RN C018584

Species

Summary

Plant class

class name count
asterids 20
rosids 20
Liliopsida 2
eudicotyledons 2
Spermatophyta 2
Magnoliophyta 1

Family (Top 10)

family name count
Rutaceae 12
Asteraceae 6
Verbenaceae 3
Lamiaceae 3
Brassicaceae 2
Pinaceae 2
Solanaceae 2
Apiaceae 2
Acoraceae 1
Gentianaceae 1

List (49)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acorus calanus L. 4464 Acoraceae Liliopsida Viridiplantae
Actinidia arguta 64478 Actinidiaceae asterids Viridiplantae
Anthemis aciphylla BOISS.var.discoidea BOISS 99027 Asteraceae asterids Viridiplantae
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Bursera delpechiana 4015 Burseraceae rosids Viridiplantae
Capillipedium parviflorum 79829 Poaceae Liliopsida Viridiplantae
Centaurea sessilis 41503 Asteraceae asterids Viridiplantae
Cistus creticus 191224 Cistaceae rosids Viridiplantae
Citrus aurantifolia 159033 Rutaceae rosids Viridiplantae
Citrus aurantium 43166 Rutaceae rosids Viridiplantae
Citrus grandis 37334 Rutaceae rosids Viridiplantae
Citrus hystrix 170989 Rutaceae rosids Viridiplantae
Citrus junos 135197 Rutaceae rosids Viridiplantae
Citrus laurifolius 2706 Rutaceae rosids Viridiplantae
Citrus limon 2708 Rutaceae rosids Viridiplantae
Citrus paradisi 37656 Rutaceae rosids Viridiplantae
Citrus reticulata 85571 Rutaceae rosids Viridiplantae
Citrus sinensis 2711 Rutaceae rosids Viridiplantae
Citrus unshiu Marc. 2706 Rutaceae rosids Viridiplantae
Conyza newii 41552 Asteraceae asterids Viridiplantae
Coriandrum sativum 4047 Apiaceae asterids Viridiplantae
Cuminum cyminum L. 52462 Apiaceae asterids Viridiplantae
Gentiana lutea 38851 Gentianaceae asterids Viridiplantae
Hesperis matronalis 264418 Brassicaceae rosids Viridiplantae
Houttuynia cordata 16752 Saururaceae Magnoliophyta Viridiplantae
Lantana camara L. 126435 Verbenaceae asterids Viridiplantae
Lippia javanica 925357 Verbenaceae asterids Viridiplantae
Lippia ukambensis 320344 Verbenaceae asterids Viridiplantae
Lychnophora ericoides Mart. 594549 Asteraceae asterids Viridiplantae
Melia azadirach 155640 Meliaceae rosids Viridiplantae
Mentha arvensis 292239 Lamiaceae asterids Viridiplantae
Myrtus communis 119949 Myrtaceae rosids Viridiplantae
Nicotiana alata 4087 Solanaceae asterids Viridiplantae
Nicotiana mutabilis 497760 Solanaceae asterids Viridiplantae
Ochtodes secundiramea 508042 Rhizophyllidaceae Eukaryota
Osmanthus fragrans 93977 Oleaceae asterids Viridiplantae
Picea schrenkiana 162307 Pinaceae Spermatophyta Viridiplantae
Pinus halepensis 71633 Pinaceae Spermatophyta Viridiplantae
Plectranthus marrubioides 41227 Lamiaceae asterids Viridiplantae
Quercus coccifera 58335 Fagaceae rosids Viridiplantae
Rhodiola rosea L. 203015 Crassulaceae eudicotyledons Viridiplantae
Rosmarinus officinalis 39367 Lamiaceae asterids Viridiplantae
Santolina corsica Jordan et Fourr 41642 Asteraceae asterids Viridiplantae
Saxifraga stolonifera Meerb. 3798 Saxifragaceae eudicotyledons Viridiplantae
Tarchonanthus camphoratus 41650 Asteraceae asterids Viridiplantae
Tarenna gracilipes (HAY.) OHWI 58440 Rubiaceae asterids Viridiplantae
Trachyspermum roxburghianum
Trifolium repens L. 3899 Fabaceae rosids Viridiplantae
Zanthoxylum decaryi 67937 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P22310 UDP-glucuronosyltransferase 1-4 Enzyme CHEMBL25306 CHEMBL1908082 (1)
3 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL25306 CHEMBL1794561 (1)
3 / 1
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL25306 CHEMBL1794401 (1)
0 / 0
Q9Y4X1 UDP-glucuronosyltransferase 2A1 Enzyme CHEMBL25306 CHEMBL1908088 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL235672 CHEMBL1614240 (1)
0 / 0
P22309 UDP-glucuronosyltransferase 1-1 Enzyme CHEMBL25306 CHEMBL1908080 (1)
5 / 1

CTD interaction (42)

compound gene gene name gene description interaction interaction type form reference
pmid
C018584 1646 AKR1C2
AKR1C-pseudo
BABP
DD
DD2
DDH2
HAKRD
HBAB
MCDR2
SRXY8
aldo-keto reductase family 1, member C2 (EC:1.3.1.20 1.1.1.357) linalool results in increased expression of AKR1C2 mRNA increases expression
mRNA 20491607
C018584 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) linalool results in increased expression of AKT1 mRNA increases expression
mRNA 19922762
C018584 1386 ATF2
CRE-BP1
CREB2
HB16
TREB7
activating transcription factor 2 (EC:2.3.1.48) linalool results in increased expression of ATF2 mRNA increases expression
mRNA 19922762
C018584 329 BIRC2
API1
HIAP2
Hiap-2
MIHB
RNF48
c-IAP1
cIAP1
baculoviral IAP repeat containing 2 linalool results in increased expression of BIRC2 mRNA increases expression
mRNA 19922762
C018584 330 BIRC3
AIP1
API2
CIAP2
HAIP1
HIAP1
MALT2
MIHC
RNF49
c-IAP2
baculoviral IAP repeat containing 3 linalool results in increased expression of BIRC3 mRNA increases expression
mRNA 19922762
C018584 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) linalool results in increased expression of CDKN1A mRNA increases expression
mRNA 19922762
C018584 1027 CDKN1B
CDKN4
KIP1
MEN1B
MEN4
P27KIP1
cyclin-dependent kinase inhibitor 1B (p27, Kip1) linalool results in increased expression of CDKN1B mRNA increases expression
mRNA 19922762
C018584 1028 CDKN1C
BWCR
BWS
KIP2
WBS
p57
p57Kip2
cyclin-dependent kinase inhibitor 1C (p57, Kip2) linalool results in increased expression of CDKN1C mRNA increases expression
mRNA 19922762
C018584 1030 CDKN2B
CDK4I
INK4B
MTS2
P15
TP15
p15INK4b
cyclin-dependent kinase inhibitor 2B (p15, inhibits CDK4) linalool results in increased expression of CDKN2B mRNA increases expression
mRNA 19922762
C018584 1447 CSN2
CASB
casein beta linalool results in increased expression of CSN2 mRNA increases expression
mRNA 19922762
C018584 1509 CTSD
CLN10
CPSD
cathepsin D (EC:3.4.23.5) linalool results in increased expression of CTSD mRNA increases expression
mRNA 19922762
C018584 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) linalool results in increased expression of CYP1A1 mRNA increases expression
mRNA 20491607
C018584 1906 EDN1
ET1
HDLCQ7
PPET1
endothelin 1 linalool results in increased expression of EDN1 mRNA increases expression
mRNA 19922762
C018584 1956 EGFR
ERBB
ERBB1
HER1
PIG61
mENA
epidermal growth factor receptor (EC:2.7.10.1) linalool results in increased expression of EGFR mRNA increases expression
mRNA 19922762
C018584 2335 FN1
CIG
ED-B
FINC
FN
FNZ
GFND
GFND2
LETS
MSF
fibronectin 1 linalool results in increased expression of FN1 mRNA increases expression
mRNA 19922762
C018584 1647 GADD45A
DDIT1
GADD45
growth arrest and DNA-damage-inducible, alpha linalool results in increased expression of GADD45A mRNA increases expression
mRNA 19922762
C018584 1647 GADD45A
DDIT1
GADD45
growth arrest and DNA-damage-inducible, alpha linalool results in increased expression of GADD45A protein increases expression
protein 19922762
C018584 2729 GCLC
GCL
GCS
GLCL
GLCLC
glutamate-cysteine ligase, catalytic subunit (EC:6.3.2.2) linalool results in increased expression of GCLC mRNA increases expression
mRNA 20491607
C018584 3156 HMGCR
LDLCQ3
3-hydroxy-3-methylglutaryl-CoA reductase (EC:1.1.1.34) linalool inhibits the reaction [KAT2B protein binds to HMGCR promoter] affects binding
/ decreases reaction
promoter 21944868
C018584 3156 HMGCR
LDLCQ3
3-hydroxy-3-methylglutaryl-CoA reductase (EC:1.1.1.34) linalool inhibits the reaction [SREBP2 protein binds to HMGCR promoter] affects binding
/ decreases reaction
promoter 21944868
C018584 3156 HMGCR
LDLCQ3
3-hydroxy-3-methylglutaryl-CoA reductase (EC:1.1.1.34) linalool results in decreased expression of and results in increased ubiquitination of HMGCR protein decreases expression
/ increases ubiquitination
protein 21944868
C018584 3156 HMGCR
LDLCQ3
3-hydroxy-3-methylglutaryl-CoA reductase (EC:1.1.1.34) linalool results in decreased expression of HMGCR mRNA decreases expression
mRNA 21944868
C018584 3297 HSF1
HSTF1
heat shock transcription factor 1 linalool results in increased expression of HSF1 mRNA increases expression
mRNA 19922762
C018584 3320 HSP90AA1
EL52
HSP86
HSP89A
HSP90A
HSP90N
HSPC1
HSPCA
HSPCAL1
HSPCAL4
HSPN
Hsp89
Hsp90
LAP2
heat shock protein 90kDa alpha (cytosolic), class A member 1 linalool results in increased expression of HSP90AA1 mRNA increases expression
mRNA 19922762
C018584 3308 HSPA4
APG-2
HS24/P52
HSPH2
RY
hsp70
hsp70RY
heat shock 70kDa protein 4 linalool results in increased expression of HSPA4 mRNA increases expression
mRNA 19922762
C018584 3316 HSPB2
HSP27
Hs.78846
LOH11CR1K
MKBP
heat shock 27kDa protein 2 linalool results in increased expression of HSPB2 mRNA increases expression
mRNA 19922762
C018584 3398 ID2
GIG8
ID2A
ID2H
bHLHb26
inhibitor of DNA binding 2, dominant negative helix-loop-helix protein linalool results in increased expression of ID2 mRNA increases expression
mRNA 19922762
C018584 3638 INSIG1
CL-6
CL6
insulin induced gene 1 linalool results in increased expression of INSIG1 protein increases expression
protein 21944868
C018584 3725 JUN
AP-1
AP1
c-Jun
jun proto-oncogene linalool results in increased expression of JUN protein increases expression
protein 19922762
C018584 8850 KAT2B
CAF
P
P/CAF
PCAF
K(lysine) acetyltransferase 2B (EC:2.3.1.48) linalool inhibits the reaction [KAT2B protein binds to HMGCR promoter] affects binding
/ decreases reaction
protein 21944868
C018584 4193 MDM2
ACTFS
HDMX
hdm2
MDM2 oncogene, E3 ubiquitin protein ligase linalool results in increased expression of MDM2 mRNA increases expression
mRNA 19922762
C018584 4609 MYC
MRTL
MYCC
bHLHe39
c-Myc
v-myc avian myelocytomatosis viral oncogene homolog linalool results in increased expression of MYC mRNA increases expression
mRNA 19922762
C018584 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 linalool results in increased expression of NFKB1 mRNA increases expression
mRNA 19922762
C018584 4852 NPY
PYY4
neuropeptide Y linalool results in increased expression of NPY protein increases expression
protein 22757684
C018584 100124292 linalool inhibits the reaction [SREBP2 protein binds to HMGCR promoter] affects binding
/ decreases reaction
protein 21944868
C018584 100124292 linalool results in decreased expression of SREBP2 mRNA decreases expression
mRNA 21944868
C018584 100124292 linalool results in decreased expression of SREBP2 protein decreases expression
protein 21944868
C018584 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 linalool results in increased expression of TP53 protein increases expression
protein 19922762
C018584 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 TP53 results in increased susceptibility to linalool increases response to substance
19922762
C018584 7295 TXN
TRDX
TRX
TRX1
thioredoxin linalool results in increased expression of TXN mRNA increases expression
mRNA 20491607
C018584 7471 WNT1
BMND16
INT1
OI15
wingless-type MMTV integration site family, member 1 linalool results in increased expression of WNT1 mRNA increases expression
mRNA 19922762
C018584 26118 WSB1
SWIP1
WSB-1
WD repeat and SOCS box containing 1 linalool results in increased expression of WSB1 mRNA increases expression
mRNA 19922762

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (8)

OMIM preferred title UniProt
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#218800 Crigler-najjar syndrome, type i P22309
P22310
#606785 Crigler-najjar syndrome, type ii P22309
P22310
#143500 Gilbert syndrome P22309
P22310
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (2)

KEGG disease name UniProt
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00208 Hyperbilirubinemia P22309 (related)

Diseases related to CTD interactions

4 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D017453 C018584 Dermatitis, Irritant marker/mechanism
22906572
D006937 C018584 Hypercholesterolemia therapeutic
21944868
D007938 C018584 Leukemia therapeutic
23220514
D009369 C018584 Neoplasms therapeutic
19922762