Compound: Safranal
SMILES: O=CC1=C(C=CCC1(C)C)C
InChIKey: SGAWOGXMMPSZPB-UHFFFAOYSA-N
Synonyms: Safranal, 116-26-7, 2,3-Dihydro-2,2,6-trimethylbenzaldehyde, 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-, 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde, 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde, Dehydro-beta-cyclocitral, (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal, FEMA No. 3389, 2,6,6-Trimethyl-1,3-cyclohexadienal, 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene, 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal, DTXSID7049398, 4393FR07EA, DTXCID4029357, CHEBI:53169, RefChem:884355, 204-133-7, 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde, MFCD00209531, Safranal (>80%), 2,6,6-trimethyl-1,3-cyclohexadiene-1-aldehyde, EINECS 204-133-7, UNII-4393FR07EA, 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; 2,2,6-Trimethyl-4,6-cyclohexadien-1-aldehyde; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-aldehyde;, Dehydro-b-cyclocitral, SAFRANAL [MI], Safranal (>80per cent), 2,2,6-trimethyl-4,6-cyclohexadien-1-aldehyde, SCHEMBL23561, 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde, orb1297151, Safranal, >=90%, stabilized, CHEMBL3183495, FEMA 3389, GTPL13283, SGAWOGXMMPSZPB-UHFFFAOYSA-, DEHYDRO-.BETA.-CYCLOCITRAL, HY-N7560, Tox21_202723, MSK014056, Safranal,stabilized with a-tocopherol, AKOS022504707, EBC-366054, FD75181, NCGC00260271-01, AS-75889, CAS-116-26-7, SY317420, DB-019750, A3429, CS-0133689, NS00012258, 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene, C17062, D78038, EN300-781042, 2,6,6-trimethylcyclohexa-1,3-dienecarboxaldehyde, F545021, Q424919, 2,6,6-trimethylcyclohexa-1,3-diene-1 carbaldehyde, 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #, BRD-K90582192-001-01-9, 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI, Z1255446334, 2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL METHANAL [FHFI], InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
Theoretical properties:
molecular_formula: C10H14O
molecular_weight: 150.22 g/mol
exact_mass: 150.104465066 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 70.00 °C. @ 1.00 mm Hg
melting_point: < 25 °C
density: 0.968-0.980 (20Â°)
solubility: Insoluble in water; soluble in oils
Descriptions:
pubchem: Safranal is a monoterpenoid formally derived from beta-cyclocitral by dehydrogenation. It is the major volatile component of saffron responsible for the characteristic aroma of saffron. It has a role as an antineoplastic agent, a radical scavenger, a neuroprotective agent, an anti-inflammatory agent, a nephroprotective agent and a plant metabolite. It is functionally related to a beta-cyclocitral.
chebi: A monoterpenoid formally derived from β-cyclocitral by dehydrogenation. It is the major volatile component of saffron responsible for the characteristic aroma of saffron.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Safranal is an organic compound isolated from saffron, the spice consisting of the stigmas of crocus flowers (Crocus sativus).  It is the constituent primarily responsible for the aroma of saffron.
It is believed that safranal is a degradation product of the carotenoid zeaxanthin via the intermediate picrocrocin.