Neurosporene
PubChem CID: 5280789
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| Compound Synonyms | Neurosporene, 502-64-7, all-trans-Neurosporene, 7,8-dihydro-psi,psi-carotene, Neurosporin, (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene, all-trans neurosporene, psi,psi-Carotene, 7,8-dihydro-, FVN22YW634, CHEBI:16833, 7,9,9'-cis-neurosporene, 7,8-Dihydro-y,y-carotene, UNII-FVN22YW634, ATCICVFRSJQYDV-XILUKMICSA-N, DTXSID901045315, LMPR01070086, Lycopene, 7,8-dihydro-, all-trans-, FN57821, DB-266322, C05431, Q15269719, 2,6,8,10,12,14,16,18,20,22,26,30-Dotriacontadodecaene, 2,6,10,14,19,23,27,31-octamethyl-, 52438-19-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Carotenoids (C40, Ψ-Ψ) |
| Deep Smiles | C/C=CC=CC=CC=CC=CC=CC=CCCC=CC)C)))))/C)))))/C)))))/C))))))/C=C/C=C/CC/C=C/CCC=CC)C)))))C)))))C |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Prenol lipids |
| Description | Neurosporene, also known as all-trans-neurosporene or 7,8-dihydro-&psi, ,&psi, -carotene, is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, neurosporene is considered to be an isoprenoid lipid molecule. Neurosporene can be found in a number of food items such as chicory, poppy, silver linden, and towel gourd, which makes neurosporene a potential biomarker for the consumption of these food products. Neurosporene can be found primarily in blood and breast milk. Neurosporene is a carotenoid pigment. It is an intermediate in the biosynthesis of lycopene and a variety of bacterial carotenoids . |
| Classyfire Subclass | Tetraterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene |
| Class | Prenol lipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Tetraterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H58 |
| Inchi Key | ATCICVFRSJQYDV-XILUKMICSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 17.0 |
| State | Solid |
| Synonyms | (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene, all-trans-Neurosporene, 7,8-Dihydro-psi,psi-carotene, 1,2-Dihydroneurosporene, 7,8-Dihydro-ψ,ψ-carotene, Neurosporin, Neurosporene, neurosporene |
| Esol Class | Soluble |
| Functional Groups | C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(/C)C, C/C=C(/C)C, CC=C(C)C |
| Compound Name | Neurosporene |
| Kingdom | Organic compounds |
| Exact Mass | 538.454 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.454 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 538.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 10.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 10.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Carotenes |
| Np Classifier Superclass | Carotenoids (C40) |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9780896038776 - 2. Outgoing r'ship
FOUND_INto/from Elaeis Guineensis (Plant) Rel Props:Reference:ISBN:9788172362300 - 3. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9161451 - 4. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Reference:ISBN:9788172361150