Basic information
- CAS
540-05-6- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C- InChIKey
OVSVTCFNLSGAMM-OUOOUFEBSA-N- Molecular formula
- C40H62
- Average molar mass
- 542.9 g/mol
- Monoisotopic mass
- 542.48515198
Overview
All-trans-phytofluene is the all-trans-isomer of phytofluene. It has a role as a plant metabolite and a human xenobiotic metabolite.
Names & identifiers
- Preferred name
- All-Trans-Phytofluene
- IUPAC
- (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
- English name
- (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
- Molecular formula
- C40H62
- Molecular weight
- 542.92
Names & synonyms
Phytoflueneall-trans-phytofluene540-05-6(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene6NUO4W7YQ67,7',8,8',11,12-hexahydro-psi,psi-carotene7,8,11,12,7',8'-hexahydro-psi,psi-caroteneIBR-TCLCDTXSID40894763PHYTOFLUENE, ALL-TRANS-CHEBI:28129psi,psi-Carotene, 7,7',8,8',11,12-hexahydro-
Show more names
Naphthoic Acid Impurity 54All-trans-Phytofluene (Standard)ψ,ψ-Carotene, 7,7',8,8',11,12-hexahydro-7,7',8,8',11,11',12,12'-hexahydro-y,y-Carotene
(12E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaeneCHEBI:26120CHEBI:35165RefChem:91540715-cis-7,8,11,12,7',8'-hexahydro-psi,psi-carotene15-Cis-Phytofluene (SY)DTXCID801324326PHYTOFLUENE 16 (17-E/Z MIXTURE)
Database identifiers
Properties
Computed structural properties
- XLogP
- 15.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 19
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Boiling Point162.5 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 0.0001 · bp0.0001 140-185° (bath temp)
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - OCCLUSIVEUV FILTER
- FDA UNII
- 6 NUO4W7YQ6 · 6NUO4W7YQ6
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysArginine and proline metabolism
Applications
UsesPhytofluene is a colourless carotenoid that absorbs light in the UV range. They are found in most carotenogenic organisms such as micro organisms, algae, fungi and plants. Phytofluene has effective and benefiting activities for both health protection, nutritional and beauty applications and have significant anti-inflammatory activity as well.
Upstream & downstream products
Downstream products
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Additional notes
DefinitionChEBI: The all-trans-isomer of phytofluene.
Related reactions
1 records
Compound notes
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