naphthalene

Identification (Source:EPA,EU)

ID 1403
Name naphthalene
CAS 91-20-3
IUPAC naphthalene
Inchi InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
CIPAC 8222
EPA Code 055801
Formula C10H8
SMILES c12ccccc1cccc2
Status PENDING

Classification

Mode of Action Via strong odour
Pesticide Type Repellent, Other product constituent
Chemical Group Aromatic hydrocarbon
Classification fumigant insecticides

Properties (Source:PubChem)

Molecular Weight 128.17
Physical State White solid crystalline flakes
AlogP 2.738
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 125.38
Polar Surface Area 0.0

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 25.0 mg l-1
Aquatic invertebrates Acute 48 hour EC50 15.0 mg l-1
Birds Acute LD50 5620 mg kg-1
Fish Acute 96 hour LC50 0.11 mg l-1
Mammals Acute oral LD50 490 mg kg-1

Related targets

Target Name RScore (About this table)
CYP3A4 243(2,4,4,23) Details
TRPA1 224(2,4,4,4) Details
TSH1 204(2,3,4,9) Details
PCAN 193(2,3,3,3) Details
ND6 171(2,2,3,6) Details
cytochrome P450 (protein family or complex) 266(1,6,8,26) Details
CCR8 175(1,4,4,5) Details
MP2 174(1,3,6,19) Details
calmodulin 153(1,3,3,13) Details
glutathione S transferase 132(1,2,4,12) Details
CYP1A2 129(1,2,2,19) Details
PF6 121(1,2,3,6) Details
caspase 3 120(1,2,2,10) Details
14 3 3 118(1,2,2,8) Details
AO7 115(1,2,2,5) Details
COX 1 112(1,2,2,2) Details
PGP9.5 115(1,1,6,10) Details
C17 94(1,1,3,4) Details
cytochrome P450 2A6 94(1,1,1,14) Details
cytochrome c 94(1,1,1,14) Details
MT1 93(1,1,2,8) Details
estrogen receptor 91(1,1,1,11) Details
S100A7 90(1,1,1,10) Details
carbonic anhydrase 88(1,1,1,8) Details
SERS 88(1,1,1,8) Details
HSD1 88(1,1,1,8) Details
CD34 87(1,1,1,7) Details
kappa casein 87(1,1,1,7) Details
ZP1 86(1,1,1,6) Details
keratin (protein family or complex) 86(1,1,1,6) Details
caspases (protein family or complex) 85(1,1,1,5) Details
P gp 85(1,1,1,5) Details
CD45 85(1,1,1,5) Details
cardiac troponin C 84(1,1,1,4) Details
MutS 83(1,1,1,3) Details
tumor necrosis factor alpha 83(1,1,1,3) Details
cholinesterases 83(1,1,1,3) Details
P2Y1 83(1,1,1,3) Details
triad 3 83(1,1,1,3) Details
eta 1 82(1,1,1,2) Details
MT2 81(1,1,1,1) Details
OTf 3 81(1,1,1,1) Details
CYP2C8 81(1,1,1,1) Details
six 2 81(1,1,1,1) Details
transferrin 81(1,1,1,1) Details
cytochrome P450 2A13 81(1,1,1,1) Details
Cl 2 143(0,4,5,18) Details
5 HT 1A 96(0,3,3,6) Details
complex is 86(0,2,4,16) Details
lysozyme 73(0,2,2,13) Details
IL 6 71(0,2,3,6) Details
FOXO4 66(0,2,2,6) Details
alpha lactalbumin 65(0,2,2,5) Details
cyclooxygenase 2 63(0,2,2,3) Details
them 1 62(0,2,2,2) Details
beta lactoglobulin 51(0,1,3,11) Details
P15 46(0,1,3,6) Details
prop 1 44(0,1,3,4) Details
albumin 43(0,1,2,8) Details
lipase 40(0,1,1,10) Details
aldosterone synthase 39(0,1,1,9) Details
CYP2F 39(0,1,1,9) Details
FB1 38(0,1,1,8) Details
cytochrome P450 monooxygenases 38(0,1,1,8) Details
S1P 38(0,1,1,8) Details
beta casein 37(0,1,1,7) Details
transferase 37(0,1,2,2) Details
hemoglobin (protein family or complex) 37(0,1,2,2) Details
N acetyl beta glucosaminidase 37(0,1,2,2) Details
MD 2 37(0,1,1,7) Details
cytochrome P450 2S1 36(0,1,1,6) Details
5 HT6 36(0,1,1,6) Details
transthyretin 36(0,1,1,6) Details
interleukin 8 35(0,1,1,5) Details
ZP2 35(0,1,1,5) Details
DTNB 34(0,1,1,4) Details
MT3 34(0,1,1,4) Details
IL 4 34(0,1,1,4) Details
PRXV 34(0,1,1,4) Details
STAT3 34(0,1,1,4) Details
CYP2E1 34(0,1,1,4) Details
purinergic receptors 34(0,1,1,4) Details
P2X7 33(0,1,1,3) Details
CD4 33(0,1,1,3) Details
P2Y12 receptors 33(0,1,1,3) Details
quinone reductase 2 33(0,1,1,3) Details
aryl hydrocarbon receptor 33(0,1,1,3) Details
S100A4 33(0,1,1,3) Details
SM NS 33(0,1,1,3) Details
Myosin 33(0,1,1,3) Details
Sonic hedgehog 32(0,1,1,2) Details
P2Y6 receptors 32(0,1,1,2) Details
AP1 32(0,1,1,2) Details
P2Y2 32(0,1,1,2) Details
PTP1B 32(0,1,1,2) Details
P2Y4 32(0,1,1,2) Details
prostatic acid phosphatase 32(0,1,1,2) Details
VEGF 32(0,1,1,2) Details
ATIII 31(0,1,1,1) Details
5 HT2C 31(0,1,1,1) Details
dio 1 31(0,1,1,1) Details
ds 1 31(0,1,1,1) Details
them 2 31(0,1,1,1) Details
GSTA1 1 31(0,1,1,1) Details
PF4 31(0,1,1,1) Details
cytochrome P450 1B1 31(0,1,1,1) Details
CCR5 31(0,1,1,1) Details
bradykinin 31(0,1,1,1) Details
protein kinase A (protein family or complex) 31(0,1,1,1) Details
CXCR4 31(0,1,1,1) Details
MCP 2 31(0,1,1,1) Details
FGF 1 31(0,1,1,1) Details
nap 2 31(0,1,1,1) Details
hex 1 31(0,1,1,1) Details
FGF 2 31(0,1,1,1) Details
C18 30(0,0,2,20) Details
beta catenin 16(0,0,1,11) Details
Tissue inhibitor of metalloproteinase 1 16(0,0,1,11) Details
prion protein 15(0,0,1,10) Details
lactate dehydrogenase (protein family or complex) 15(0,0,2,5) Details
surfactant protein C 15(0,0,1,10) Details
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