| Phytochemical Name : Squalene |
| PCNDIDS0147 |
| Pubchem CID : 638072 |
| Molecular formula: C30H50 |
| Canonical SMILES : CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C |
Synonymes : squalene|111-02-4|Spinacene|trans-Squalene|Supraene|All-trans-Squalene|(E,E,E,E)-Squalene|2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene|Nikko Squalane EX|Spinacen|Super Squalene|7683-64-9|(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene|2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene|(E)-Squalene|Squalen|UNII-7QWM220FJH|11051-27-7|EINECS 203-826-1|7QWM220FJH|(All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene|(E/Z)-Squalene|MF59|CHEBI:15440|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-|CCRIS 711|MF59 COMPONENT SQUALENE|DTXSID0026044|HSDB 8242|EC 203-826-1|Squalene 100 microg/mL in Hexane|C30H50|NCGC00181323-01|MONTANIDE ISA 720 COMPONENT SQUALENE|2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene, (all-E)-|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-|2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-|DTXCID406044|SQUALENE (EP MONOGRAPH)|SQUALENE [EP MONOGRAPH]|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-, didehydro deriv.|CAS-111-02-4|DTXSID4064767|squalcnc|Skvalen|trans-Spinacene|AddaVax|Super Squalene; trans-Squalene;AddaVax|NCGC00181163-01|MFCD00008912|Squalene, all-trans-|starbld0009755|SQUALENE [INCI]|SQUALENE [MI]|D07ZNO|SQUALENE [WHO-DD]|SQUALENE [GREEN BOOK]|Squalene, Spinacene, Supraene|CHEMBL458402|GTPL3054|QSPL 049|DTXCID8047921|HY-N1214A|HY-N1214|NSC93748|Tox21_112789|Tox21_113239|C30H48|LS-525|NSC-93748|s4862|AKOS015917344|CCG-268779|DB11460|AS-56045|BS-49251|CS-0016601|CS-0201515|H0097|C00751|E80634|Q407560|SR-01000944749|J-002505|SR-01000944749-1|3704365A-1DAB-4AAA-A0D0-CAE7A96723AC|2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,|2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetra cosahexaene|(2E,6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene|(all-E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetraco-sahexaene|2, 6, 10, 15, 19, 23- hexamethyltetracosa- 2, 6, 10, 14, 18, 22- hexaene|2,6,10,14,18,22-TETRACOSAHEXENE, 2,6,10,15,19,23-HEXAMETHYL-, (ALL-E)-|2,6,10,14,18,22-Tetracosahexene, 2,6,10,15,19,23-hexamethyl-,(all-E)-|Squalene; (2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexene, (all-E)-)|2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 6.370 |
| Log Po/w (XLOGP3) : 11.580 |
| Log Po/w (WLOGP) : 10.600 |
| Log Po/w (MLOGP) : 7.930 |
| Log Po/w (SILICOS-IT) : 10.410 |
| Consensus Log Po/w : 9.380 |