Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.42	14.92	-43.78	0	2	-1	40	303.466	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.42	12.94	-5.78	1	2	0	37	304.474	14	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
M.P	49 °C	Indofine
Purity	>90%	Fluorochem
Purity	>98%	Fluorochem
UniProt Database Links	ACSL1_MOUSE; ACSL1_RAT; ACSL3_HUMAN; ACSL3_MOUSE; ACSL3_PONAB; ACSL3_RAT; ACSL4_HUMAN; ACSL4_MOUSE; ACSL4_RAT; AL5AP_BOVIN; AL5AP_HORSE; AL5AP_HUMAN; AL5AP_MACFA; AL5AP_MACMU; AL5AP_MOUSE; AL5AP_PIG; AL5AP_RABIT; AL5AP_RAT; AL5AP_SHEEP; ALL11_ARAHY; ALL12	ChEBI
APPEARANCE	colorless to light yellow	Indofine
Patent Database Links	EP0839806; EP0947523; EP0950657; EP0950661; EP0976748; EP1020179; EP1156050; EP1277743; EP1410822; EP1435353; EP1506996; EP1557427; EP1604675; EP1629850; EP1634599; EP1642983; EP1656839; EP1666092; EP1676488; EP1679068; EP1707198; EP1714564; EP1726217; EP	ChEBI
PUBCHEM_PATENT_ID	EP0951283A1; US5753702; US6140364	IBM Patent Data
SOLUBILITY	ethanol: =10 mg/mL	Indofine
Therapy	prostaglanin & leucotriene precursor, stimulates NO biosynthesis	SMDC MicroSource
Reactome Database Links	REACT_13412; REACT_13485; REACT_13525; REACT_13615; REACT_147758; REACT_150129; REACT_150130; REACT_150190; REACT_150225; REACT_150226; REACT_150287; REACT_150327; REACT_150372; REACT_150406; REACT_150433; REACT_150441; REACT_150442; REACT_15331; REACT_15	ChEBI
Target	Voltage-dependent L-type calcium channel subunit alpha-1C(Q13936)&Caspase-3(P42574)&Collagen alpha-2(I) chain(P08123)&Vascular cell adhesion protein 1(P19320)&Phospholipid scramblase 1(O15162)&Integrin alpha-M(P11215)&T-lymphocyte activation antigen CD86(	Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABP4-2-E	Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic	Eukaryotes	180	0.43	Binding ≤ 10μM
Z50587-5-O	Homo Sapiens (cluster #5 Of 9), Other	Other	940	0.38	Functional ≤ 10μM
Z50643-1-O	Hepatitis C Virus (cluster #1 Of 5), Other	Other	10000	0.32	Functional ≤ 10μM
Z80548-2-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other	Other	5	0.53	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FABP4_HUMAN	P15090	Fatty Acid Binding Protein Adipocyte, Human	180	0.43	Binding ≤ 1μM
FABP4_HUMAN	P15090	Fatty Acid Binding Protein Adipocyte, Human	180	0.43	Binding ≤ 10μM
Z50643	Z50643	Hepatitis C Virus	10000	0.32	Functional ≤ 10μM
Z50587	Z50587	Homo Sapiens	940	0.38	Functional ≤ 10μM
Z80548	Z80548	THP-1 (Acute Monocytic Leukemia Cells)	180	0.43	Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description	Species
Activation of gene expression by SREBF (SREBP)	Drosophila melanogaster Danio rerio Taeniopygia guttata Homo sapiens Xenopus tropicalis Mus musculus Sus scrofa Canis familiaris Rattus norvegicus Bos taurus Gallus gallus
Arachidonate production from DAG	Gallus gallus Oryza sativa Sus scrofa Dictyostelium discoideum Taeniopygia guttata Canis familiaris Saccharomyces cerevisiae Schizosaccharomyces pombe Homo sapiens Xenopus tropicalis Mus musculus Arabidopsis thaliana Bos taurus Danio rerio Rattus norvegicus
Arachidonic acid metabolism	Bos taurus Mus musculus Taeniopygia guttata Danio rerio Canis familiaris Xenopus tropicalis Homo sapiens Gallus gallus Sus scrofa Rattus norvegicus
BMAL1:CLOCK,NPAS2 activates circadian gene expression	Canis familiaris Drosophila melanogaster Taeniopygia guttata Homo sapiens Danio rerio Mus musculus Sus scrofa Xenopus tropicalis Gallus gallus Bos taurus Rattus norvegicus
Circadian Clock	Danio rerio Taeniopygia guttata Rattus norvegicus Homo sapiens Sus scrofa Xenopus tropicalis Drosophila melanogaster Canis familiaris Bos taurus Gallus gallus Mus musculus
COX reactions	Rattus norvegicus Sus scrofa Canis familiaris Homo sapiens Xenopus tropicalis Danio rerio Taeniopygia guttata Mus musculus Gallus gallus Bos taurus
Fatty acids	Danio rerio Homo sapiens Drosophila melanogaster Taeniopygia guttata Mus musculus Arabidopsis thaliana Sus scrofa Canis familiaris Bos taurus Gallus gallus Rattus norvegicus Xenopus tropicalis Oryza sativa
Miscellaneous substrates	Bos taurus Canis familiaris Sus scrofa Homo sapiens Xenopus tropicalis Rattus norvegicus Mus musculus Taeniopygia guttata Gallus gallus Danio rerio
phospho-PLA2 pathway	Gallus gallus Homo sapiens Canis familiaris Mus musculus Taeniopygia guttata Rattus norvegicus Sus scrofa Bos taurus Xenopus tropicalis Danio rerio
PPARA activates gene expression	Sus scrofa Mus musculus Taeniopygia guttata Xenopus tropicalis Homo sapiens Drosophila melanogaster Rattus norvegicus Gallus gallus Canis familiaris Bos taurus Danio rerio
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp	Mus musculus Sus scrofa Canis familiaris Danio rerio Homo sapiens Taeniopygia guttata Rattus norvegicus Xenopus tropicalis Gallus gallus Bos taurus
REV-ERBA represses gene expression	Danio rerio Rattus norvegicus Sus scrofa Xenopus tropicalis Bos taurus Mus musculus Taeniopygia guttata Homo sapiens Drosophila melanogaster Gallus gallus Canis familiaris
Role of phospholipids in phagocytosis	Homo sapiens Canis familiaris Gallus gallus Bos taurus Mus musculus Taeniopygia guttata Xenopus tropicalis Dictyostelium discoideum Sus scrofa Drosophila melanogaster Caenorhabditis elegans Danio rerio Rattus norvegicus Arabidopsis thaliana Oryza sativa Plasmodium falciparum
RORA activates circadian gene expression	Bos taurus Homo sapiens Rattus norvegicus Mus musculus Canis familiaris Gallus gallus Sus scrofa Xenopus tropicalis Drosophila melanogaster Taeniopygia guttata Danio rerio
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE)	Arabidopsis thaliana Xenopus tropicalis Sus scrofa Oryza sativa Drosophila melanogaster Danio rerio Caenorhabditis elegans Taeniopygia guttata Canis familiaris Homo sapiens Gallus gallus Mus musculus Rattus norvegicus Bos taurus
Synthesis of 12-eicosatetraenoic acid derivatives	Canis familiaris Mus musculus Arabidopsis thaliana Homo sapiens Xenopus tropicalis Sus scrofa Rattus norvegicus Taeniopygia guttata Dictyostelium discoideum Oryza sativa Danio rerio Bos taurus
Synthesis of 15-eicosatetraenoic acid derivatives	Xenopus tropicalis Mus musculus Homo sapiens Dictyostelium discoideum Canis familiaris Gallus gallus Oryza sativa Arabidopsis thaliana Danio rerio Taeniopygia guttata Sus scrofa Bos taurus Rattus norvegicus
Synthesis of 5-eicosatetraenoic acids	Canis familiaris Mus musculus Homo sapiens Taeniopygia guttata Bos taurus Xenopus tropicalis Danio rerio Gallus gallus Rattus norvegicus Sus scrofa
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET)	Canis familiaris Mus musculus Danio rerio Bos taurus Xenopus tropicalis Sus scrofa Taeniopygia guttata Caenorhabditis elegans Drosophila melanogaster Gallus gallus Rattus norvegicus Homo sapiens
Synthesis of Hepoxilins (HX) and Trioxilins (TrX)	Rattus norvegicus Dictyostelium discoideum Canis familiaris Danio rerio Mus musculus Sus scrofa Bos taurus Oryza sativa Homo sapiens Arabidopsis thaliana
Synthesis of Leukotrienes (LT) and Eoxins (EX)	Mus musculus Canis familiaris Xenopus tropicalis Gallus gallus Sus scrofa Taeniopygia guttata Danio rerio Bos taurus Rattus norvegicus Homo sapiens
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)	Rattus norvegicus Bos taurus Mus musculus Xenopus tropicalis Danio rerio Taeniopygia guttata Homo sapiens Gallus gallus Canis familiaris Sus scrofa
Synthesis of very long-chain fatty acyl-CoAs	Arabidopsis thaliana Plasmodium falciparum Xenopus tropicalis Rattus norvegicus Canis familiaris Mus musculus Bos taurus Drosophila melanogaster Saccharomyces cerevisiae Oryza sativa Taeniopygia guttata Schizosaccharomyces pombe Homo sapiens Caenorhabditis elegans Danio rerio Sus scrofa Dictyostelium discoideum Gallus gallus
Transcriptional activation of mitochondrial biogenesis	Homo sapiens Bos taurus Drosophila melanogaster Taeniopygia guttata Rattus norvegicus Gallus gallus Xenopus tropicalis Sus scrofa Mus musculus Danio rerio Canis familiaris
Transcriptional regulation of white adipocyte differentiation	Taeniopygia guttata Rattus norvegicus Drosophila melanogaster Xenopus tropicalis Homo sapiens Bos taurus Mus musculus Sus scrofa Danio rerio Canis familiaris Gallus gallus
YAP1- and WWTR1 (TAZ)-stimulated gene expression	Danio rerio Canis familiaris Xenopus tropicalis Mus musculus Gallus gallus Sus scrofa Rattus norvegicus Bos taurus Homo sapiens Drosophila melanogaster Taeniopygia guttata

Reactome Annotations from Targets (via Uniprot)

Description	Species
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis	Homo sapiens (FABP4_HUMAN)
Transcriptional regulation of white adipocyte differentiation	Homo sapiens (FABP4_HUMAN)

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (25)
Vendors (21)
Annotations (30)
Representations (2)
Notes (11)
Targets (5)
Clustered (4)
Reactome (2)
Rings (0)
Analogs (9)