Compound: CHRYSANTHEMIC ACID
SMILES: O=C(O)C1C(C)(C)C1C=C(C)C
InChIKey: XLOPRKKSAJMMEW-UHFFFAOYSA-N
Synonyms: CHRYSANTHEMIC ACID, 10453-89-1, Chrysanthemumic acid, Chrysanthemummonocarboxylic acid, 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid, CHEBI:3680, DTXSID30871866, 774IH300I2, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, RefChem:125954, chrysanthemic acid, (+,-), DTXCID90819481, 233-941-2, NSC 11779, 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid, D,L-cis,trans-Chrysanthemic acid, MFCD00057698, 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid, 3-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid, 2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarboxylic acid, NSC11779, Chrysanthemic acid (cis/trans=1:10), Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylic acid, CCRIS 2496, (+)-trans-Chrysanthemic acid-carboxy-14C, 2935-23-1, EINECS 233-941-2, BRN 2043418, AI3-20453, UNII-774IH300I2, Chrysamthemic acid, Chrysanthemumsaeure, 705-16-8, Pyrethrin metabolite, Spectrum_001622, SpecPlus_000441, Spectrum2_001682, Spectrum3_001926, Spectrum4_001755, Spectrum5_000610, DL-CHRYSANTHEMIC ACID, SCHEMBL62874, (+/-)-Chrysanthemumic acid, BSPBio_003526, KBioGR_002230, KBioSS_002102, 2-09-00-00047 (Beilstein Handbook Reference), DivK1c_006537, SPECTRUM1504800, SPBio_001604, (.+-.)-Chrysanthemumic acid, orb1702415, DL-cis/trans-Chrysanthemic acid, (.+/-.)-Chrysanthemumic acid, CHEMBL1437285, NIOSH/GZ1275000, KBio1_001481, KBio2_002102, KBio2_004670, KBio2_007238, KBio3_002752, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3R)-rel-, AAA70516, KAA45389, CCG-38773, EBC-47360, NSC-11779, STL182755, AKOS001204877, AKOS016042366, SDCCGMLS-0066800.P001, NCGC00094564-01, NCGC00094564-02, NCGC00094564-03, AS-16143, DA-27494, NCI60_000424, WLN: L3TJ A1 A1 BVQ C1UY1&1, DB-070726, HY-114502, CS-0063329, GZ12750000, NS00042469, NS00082588, NS00126652, EN300-24002, F74781, SR-05000002402, SR-05000002402-1, BRD-A52893269-001-02-4, BRD-A52893269-001-03-2, Z166667648, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methylpropenyl)-, 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylicacid, 3- (2-methyl-1-propenyl) -2, 2-dimethylcyclopropanecarboxylic acid, 3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid, 3-(2-methylprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, DL-cis/trans-
Theoretical properties:
molecular_formula: C10H16O2
molecular_weight: 168.23 g/mol
exact_mass: 168.115029749 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Chrysanthemic acid is a monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. It has a role as a plant metabolite. It is a monocarboxylic acid and a member of cyclopropanes. It is functionally related to a cyclopropanecarboxylic acid.
chebi: A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3.
chembl: CHRYSANTHEMIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Chrysanthemic acid is an organic compound that is related to a variety of natural and synthetic insecticides. It is a terpenoic acid related to the pyrethrin I and II, as well as the pyrethroids. One of the four stereoisomers, (1R,3R)- or (+)-trans-chrysanthemic acid (pictured), is the acid part of the ester pyrethrin I, which occurs naturally in the seed cases of Chrysanthemum cinerariaefolium. Many synthetic pyrethroids, for example the allethrins, are esters of all four stereoisomers. Staudinger and Ružička named chrysanthemic acid in 1924.