(+)-Isocupressic acid (CED0018672)

Record Information
Version1.0
Creation Date2026-04-06 01:30:25 UTC
Update Date2026-05-21 00:40:50 UTC
Accession NumberCHEM114268
Identification
Common Name(+)-Isocupressic acid
ClassSmall Molecule
Description
(+)-Isocupressic acid is an organic compound with the formula C20H32O3 and an average molecular weight of 320.47 g/mol. (+)-Isocupressic acid belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. This compound is found in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also recorded in food packaging within the food, food processing and cookware sector. Additionally, the compound is present in medical devices from the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is found in lubricants. One other sector is also recorded. Recorded exposure routes for (+)-Isocupressic acid include inhalation, oral, and touch.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC20H32O3
Average Molecular Mass320.473 g/mol
Monoisotopic Mass320.235 g/mol
CAS Registry Number1909-91-7
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12CCC(=C)[C@H](CCC(C)=CCO)[C@@]1(C)CCC[C@]2(C)C(O)=O
InChI IdentifierInChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1
InChI KeyDOYKMKZYLAAOGH-DOEMEAPXSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2989.0Log mg/kg[1700:5300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Tubulin--tyrosine ligase structureClick to view 3D structureTubulin--tyrosine ligaseQ8NG68HumansPredicted (SEA)0.233548
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)323.775
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)498.391
Click to view 3D structureTransient receptor potential cation channel subfamily M member 2E9PTA2Rattus norvegicusPredicted (SEA)2.56902
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)1815.44
Tyrosine-protein phosphatase non-receptor type 2 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 2P17706HumansPredicted (SEA)360.053
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)350.322
Vitamin D3 receptor structureClick to view 3D structureVitamin D3 receptorP11473HumansPredicted (SEA)447.322
Click to view 3D structureBeta-lactoglobulinP02754Bos taurusPredicted (SEA)1.55698
Click to view 3D structurePhospholipase A2B7UUK1Apis melliferaPredicted (SEA)0.622794
Click to view 3D structureVitamin D3 receptorP13053Rattus norvegicusPredicted (SEA)7.55137
Prostaglandin E synthase structureClick to view 3D structureProstaglandin E synthaseO14684HumansPredicted (SEA)869.654
CD81 antigen structureClick to view 3D structureCD81 antigenP60033HumansPredicted (SEA)1.63483
Click to view 3D structureVitamin D3 receptor AQ9PTN2Danio rerioPredicted (SEA)6.85073
Click to view 3D structureVitamin D3 receptorA3RGC1Sus scrofaPredicted (SEA)10.4318
Vitamin D-binding protein structureClick to view 3D structureVitamin D-binding proteinP02774HumansPredicted (SEA)10.4318
Click to view 3D structureVitamin D3 receptorO42392Gallus gallusPredicted (SEA)9.34191
Click to view 3D structurePhospholipase A2 alphaP00623Crotalus adamanteusPredicted (SEA)1.55698
Click to view 3D structureRetinoic acid receptor alphaP11416Mus musculusPredicted (SEA)45.3082
Click to view 3D structureRetinoic acid receptor gammaP18911Mus musculusPredicted (SEA)46.7874
Click to view 3D structureRetinoic acid receptor betaP22605Mus musculusPredicted (SEA)44.919
Click to view 3D structureVitamin D3 receptorQ28037Bos taurusPredicted (SEA)8.40772
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)45.931
M-phase inducer phosphatase 2 structureClick to view 3D structureM-phase inducer phosphatase 2P30305HumansPredicted (SEA)555.843
Click to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 2Q5TKS0Staphylococcus aureusPredicted (SEA)2.33548
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available