Allethrins
PubChem CID: 11442
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| Compound Synonyms | ALLETHRIN, 584-79-2, Pynamin, Allethrins, Esbiothrin, D-trans Allethrin, 84030-86-4, d-cis,trans-Allethrin, d-cis-trans-Allethrin, Allethrine, D-Allethrin, 22431-63-6, Allyl cinerin, alpha-dl-trans-Allethrin, Pallethrine, Pyresin, Pyresyn, Allyl cinerin I, Necarboxylic acid, D-TRANS-ALLETHRIN, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, Bioaletrina, Cinerin I allyl homolog, 3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate, 3972-20-1, DTXSID8035180, CHEBI:34572, trans-chrysanthemummonocarboxylate, Allyl homolog of cinerin I, 42534-61-2, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1-alpha(S*),3-beta)-(+-)-, FMC 249, NCGC00163953-03, NIA 249, FDA 1446, 28434-00-6, (1R)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylicacid 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-ylester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R)-2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. (1S.3S)-rel-, (+)-Allelrethonyl (+)-cis,trans-chrysanthemate, 3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate, S-trans-Bioallethrin, Allethrolone ester of chrysanthemummonocarboxylic acid, Bioallethrin (BAN), 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R)-2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1S,3S)-rel-, HSDB 1511, (+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate, 0X03II877M, 28057-48-9, MFCD00045443, PYNAMIN (JAPAN), (+)-trans-Bioallethrin, ALLETHRIN [HSDB], ALLETHRIN I [MI], Duocide [veterinary] (TN), PALLETHRINE (FRANCE), Pesticide Code: 004001, SCHEMBL26963, CHEMBL1872535, DTXCID6015180, D,L-chrysanthemum monocarboxylate, OMS 468, [(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, HY-B1559, NSC11782, Tox21_400074, D-allethrolone d-trans-chrysanthemate, ENT 16275, ENT 17510, AKOS015900219, NCGC00163953-01, NCGC00163953-02, NCGC00163953-04, NCGC00164471-01, (3-allyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, AS-11751, CAS-584-79-2, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, [1R-[1.alpha.(S*),3.beta.]]-, DB-047389, ()-Allerethonyl ()-cis,trans-chrysanthemate, CS-0013441, NS00008969, Allethrin, PESTANAL(R), analytical standard, Esbiothrin, PESTANAL(R), analytical standard, D07530, Bioallethrin, PESTANAL(R), analytical standard, Q1851694, (.+-.)-Allelrethonyl (.+-.)-cis,trans-chrysanthemate, (+)-trans-Chrysanthemumic acid ester of (.+-.)-allethrolone, (RS)-Allethronyl (1R, cis)-chrysanthemate /d-cis-Allethrin/, (S)-Allethronyl (1R, trans)-chrysanthemate /S-Bioallethrin/, WLN: L5V BUTJ B2U1 C1 DOV- BL3TJ A1 A1 C1UY1&1, (RS)-Allethronyl (1R, cis, trans)-chrysanthemate /d-Allethrin/, (S)-Allethronyl (1R, cis, trans)-chrysanthemate /GZ1925000/, (RS)-Allethronyl (1R, trans) chrysanthemate /d-trans-Allethrin/ /Esbiothrin/, (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS, cis, trans)-2,2-dimethyl-3-(2,2-dimethylvinyl)cyclopropane-carboxylate /Allethrin/ /d-Allethrin/ /d-cis-Allethrin/ /d-trans-Allethrin/ /Esbiothrin/ /S-Bioallethrin/, 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylic acid, 2-Methyl-4-oxo-3-(2-propenyl)-2-cyclo-penten-1-yl 2,2-dimethyl 3-(2-methyl-1-propenyl) cyclopropanecarboxylate /Allethrin/ /d-Allethrin/ /d-cis-Allethrin/ /d-trans-Allethrin/ /Esbiothrin/ /S-Bioallethrin/, 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, 3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, (1R-(1.alpha.(S*),3.beta.))-, 3-allyl-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester (VA, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, d-trans-, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopentene-1-yl ester, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one, D-trans-Allethrin, (S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl-(1R,3R)-2,2-dimethyl-3-(2-methyl-prop-1-enyl)cyclopropancarboxylate, d-trans-Chrysanthemum monocarboxylic acid ester of d-2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one /S-Bioallethrin/ |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19793, Q96RI1, Q03181, P04637, Q16236, Q9R1A7, Q07869, n.a., Q9NUW8, P10275, P04792, P19838, P05412 |
| Iupac Name | (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C19H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZCVAOQKBXKSDMS-UHFFFAOYSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -5.475 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.794 |
| Compound Name | Allethrins |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3303668 |
| Inchi | InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3 |
| Smiles | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tanacetum Cinerariifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all