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

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)