Ibr-clc
PubChem CID: 6857557
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| Compound Synonyms | Ibr-clc, cis-Phytofluene, 27664-65-9, Phytofluene, (15Z)-, (15Z)-Phytofluene, UNII-3V8034L59C, 3V8034L59C, Lycopene, 7,7',8,8',11,12-hexahydro-, 15-cis-, omega,omega-Carotene, 7,7',8,8',11,12-hexahydro-, 15-cis-, (6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene, psi,psi-Carotene, 7,7',8,8',11,12-hexahydro-, 15-cis-, 15-cis-phytofluene, (E/Z)-Phytofluene, CHEBI:35165, DTXSID40904730, FH31684, (6E,10E,12E,14Z,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,12,14,16,18,22,26,30-DECAENE, cis-7,7',8,8',11,12-Hexahydro-Carotene, Q3746185, 15-cis-7,8,11,12,7',8'-hexahydro-psi,psi-carotene, 7,8,11,12,7',8'-Hexahydro-psi,psi-carotene, IBR-CLC, .OMEGA.,.OMEGA.-CAROTENE, 7,7',8,8',11,12-HEXAHYDRO-, 15-CIS-, (12E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 15.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H62 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVSVTCFNLSGAMM-DGFSHVNOSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 19.0 |
| State | Solid |
| Synonyms | (12E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene, (15Z)-Phytofluene, 15-cis-7,7',8,8',11,12-Hexahydro-psi,psi-carotene, 15-cis-7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene, 15-cis-7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene, 15-cis-Phytofluene, 7,7',8,8',11,12-Hexahydro-psi,psi-carotene, 7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene, 7,7',8,8',11,12-Hexahydrolycopene, 7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene, 7,7’,8,8’,11,12-hexahydrolycopene, cis-Phytofluene, Phytofluene |
| Compound Name | Ibr-clc |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 542.485 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 542.485 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 542.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 8.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -11.654203200000003 |
| Inchi | InChI=1S/C40H62/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/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C |
| Defined Bond Stereocenter Count | 8.0 |
| Taxonomy Direct Parent | Carotenes |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ardisia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cryptocarya Aschersoniana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Eupatorium Argentinum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Juniperus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Peritassa Compta (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Psiadia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Rheedia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients