Lycopersene
PubChem CID: 5365816
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| Compound Synonyms | Lycopersene, lycopaoctaene, Lycopersen, 502-62-5, (6E,10E,14E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaene, 15,15'-dihydrophytoene, CHEBI:142538, 7,7',8,8',11,11',12,12',15,15'-Decahydro-psi,psi-carotene, psi,psi-Carotene, 7,7',8,8',11,11',12,12',15,15'-decahydro-, .psi.,.psi.-Carotene, 7,7',8,8',11,11',12,12',15,15'-decahydro-, 2,6,10,14,18,22,26,30-Dotriacontaoctaene, 2,6,10,14,19,23,27,31-octamethyl-, all-trans-lycopaoctaene, DTXSID901318251, C22055, 7,8,11,12,15,7',8',11',12',15'-Decahydro-psi,psi-carotene, 7,7',8,8',11,11',12,12',15,15'-Decahydro-psi,psi-carotene #, (6E,10E,14E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaene |
|---|---|
| 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 | Acyclic triterpenoids |
| Deep Smiles | C/C=CCC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C))))))/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Tetraterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 847.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,10E,14E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaene |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H66 |
| Inchi Key | BGVXBZXEFXMRGJ-DPOFWPLISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | lycopersen, lycopersene |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C |
| Compound Name | Lycopersene |
| Exact Mass | 546.516 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 546.516 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 547.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 6.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H66/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/h19-22,27-30H,11-18,23-26,31-32H2,1-10H3/b35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 6.0 |
| Egan Rule | False |
| Np Classifier Superclass | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006