Perillaldehyde, (-)-
PubChem CID: 2724159
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| Compound Synonyms | 18031-40-8, (-)-Perillaldehyde, l-Perillaldehyde, (S)-(-)-Perillaldehyde, 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)-, (s)-perillaldehyde, (S)-4-(prop-1-en-2-yl)cyclohex-1-enecarbaldehyde, Perillaldehyde, (-)-, (-)-Perillaaldehyde, 1-Perillaldehyde, (S)-p-Mentha-1,8-dien-7-al, (-)-Perilla aldehyde, (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde, UNII-5EL0Y7P6LP, 5EL0Y7P6LP, (S)-(-)-Perillic aldehyde, (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde, CCRIS 7325, DTXSID5041190, (4S)-p-Mentha-1,8-dien-7-al, (S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde, DTXCID3021190, 1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-ISOPROPENYL-, (S)-(-)-, 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (S)-, 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (S)-(-)-, MFCD00001543, (S)-Perillaldehyde (92%), (S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde, (4S)-4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde, (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde, (?)-Perillaaldehyde, S(-)-Perillaldehyde, (-)-perillyl aldehyde, (4S)-perillyl aldehyde, bmse000638, L-Perillaldehyde (Standard), PERILLALDEHYDE L-FORM, (-)-Perillaldehyde - 95%, CHEMBL442913, SCHEMBL1302138, HY-N2085R, PERILLALDEHYDE L-FORM [MI], HY-N2085, Tox21_300969, BBL033978, s3205, STK801847, (S)-(-)-Perillaldehyde, >=92%, AKOS005622599, DS-4065, FP26844, FP64069, NCGC00248235-01, NCGC00254872-01, AC-35084, XP164875, CAS-18031-40-8, (S)-(-)-Perillaldehyde, analytical standard, CS-0018589, (4S)-4-isopropenylcyclohexene-1-carbaldehyde, (4S)-4-Isopropenyl-1-cyclohexen-1-carbaldehyde, (S)-(-)-Perillaldehyde, technical grade, 92%, EN300-6764746, 4-Isopropenyl-1-cyclohexene-1-carbaldehyde, (S)-, Q23766753, Z1255402618, (4R)-4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde, (+)-Perillaldehyde, (R)-(+)-Perillaldehyde |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q16236 |
| Iupac Name | (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUMOYJJNUMEFDD-SNVBAGLBSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.219 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.739 |
| Compound Name | Perillaldehyde, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6112702 |
| Inchi | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1 |
| Smiles | CC(=C)[C@H]1CCC(=CC1)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Leucostomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Apollonias Barbujana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aquilegia Ecalcarata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Hanseniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Blumea Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ceanothus Velutinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Chlorophytum Borivilianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Dipterocarpus Dyeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Fragaria Vesca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Garcinia Scortechinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Gardenia Tubifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Ipomoea Cairica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Isodon Lophanthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Kopsia Grandifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Lasianthus Fordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Ledebouria Socialis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Lycopus Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Panax Innovans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Persea Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all