Geranylgeraniol
PubChem CID: 5281365
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| Compound Synonyms | Geranylgeraniol, 24034-73-9, Tetraprenol, Geranyl geraniol, (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol, (E,E,E)-Geranylgeraniol, 7614-21-3, trans-Geranylgeraniol, Gernaylgeraniol, (E,E,E)-Geranylgeranyl alcohol, AIA02AJA3A, Geranylgeranyl alcohol, CHEBI:46762, trans,trans,trans-Geranylgeraniol, All-trans-Geranylgeraniol, Geranylgeraniol (Natural), 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, MFCD00129083, Geranylgeraniol (Synthetic), 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (2E,6E,10E)-, CHEBI:24229, DTXSID001345665, 3,7,11,15-tetramethylhexadeca-2E,6E,10E,14-tetraen-1-ol, all trans-3,7,11-15-Tetramethyl-2,6,10,14-hexadecatetraen-1-ol, Geranylgeraniol (Natural) ~85%, (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol, UNII-AIA02AJA3A, Spectrum5_002040, 3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-ol, GERANYLGERANIOL [INCI], SCHEMBL127330, SPECTRUM1505009, CHEMBL478589, Geranylgeraniol, >=85% (GC), DTXCID501774316, BCP25724, 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (E,E,E)-, AKOS028109426, CS-W012190, FG23658, HY-W011474, LMPR0104010009, NCGC00096069-01, NCGC00096069-02, CS-17354, C09094, P16964, Q3123708, BRD-K95402279-001-02-9, (E,E,E)-3,7,11,15 tetramethyl-2,6,10,14-hexadecatetraen-1-ol, 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (2E,6E,10E)- (9CI), 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (E,E,E)- (8CI), 3,7,11,15-TETRAMETHYL-2E,6E,10E,14E-2,6,10,14-HEXADECATETRAEN-1-OL, 623-656-5, ELX |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | OC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Description | Geranylgeraniol, also known as tetraprenol or (2e,6e,10e)-geranylgeraniol, is a member of the class of compounds known as acyclic diterpenoids. Acyclic diterpenoids are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Thus, geranylgeraniol is considered to be an isoprenoid lipid molecule. Geranylgeraniol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Geranylgeraniol can be found in flaxseed, which makes geranylgeraniol a potential biomarker for the consumption of this food product. Geranylgeraniol is a diterpene alcohol which plays a role in several important biological processes. It is an intermediate in the biosynthesis of other diterpenes and of vitamins E and K. It also used in the post-translational modification known as geranylgeranylation. Geranylgeraniol is a pheromone for bumblebees and a variety of other insects . |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10636, P00352, P51450, Q96KQ7, Q8MK44, Q9BGL2 |
| Iupac Name | (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT51, NPT94 |
| Xlogp | 6.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJISWRZIEWCUBN-QIRCYJPOSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -5.029 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.828 |
| Synonyms | (e,e,e)-geranylgeraniol, 2,6,10,14-hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, All-trans-geranylgeraniol, Gernaylgeraniol, Tetraprenol, Trans-geranylgeraniol, Trans,trans,trans-geranylgeraniol, geranyl geraniol, geranylgeraniol, trans-gernylgeraniol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, CO |
| Compound Name | Geranylgeraniol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.561144199999999 |
| Inchi | InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | False |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aphanamixis Polystachya (Plant) Rel Props:Reference:https://doi.org/10.5806/ast.2017.30.3.113 - 2. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16661480 - 3. Outgoing r'ship
FOUND_INto/from Bixa Orellana (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943 - 5. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Jasminum Grandiflorum (Plant) Rel Props:Reference:ISBN:9788172361150 - 7. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211964 - 9. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090609 - 10. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276 - 11. Outgoing r'ship
FOUND_INto/from Toona Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1417747