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

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)