Grifolin
PubChem CID: 5372312
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| Compound Synonyms | Grifolin, 6903-07-7, 5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol, Grifolinterpenoid, 2-Farnesyl-5-methylresorcinol, 1,3-Benzenediol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-, Hexadecyltrimethylammonium pentachlorophenol, Resorcinol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-, Ammonium, hexadecyltrimethyl-, pentachlorophenoxide, AMMONIUM, HEXADECYLTRIMETHYL-, PENTACHLOROPHENOL, Ammonium, hexadecyltrimethyl-, pentachlorophenoxide (8CI), Hexadecyltrimethylammonium pentachlorophenoxide (6CI,7CI), 5-Methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, 9CI, E,E,5-Methyl-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, 5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,3-diol, 5-METHYL-2-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-YL)-1,3-BENZENEDIOL, 5-methyl-2-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzene-1,3-diol, 5-methyl-2-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol, 5-Methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,3-benzenediol, Grifolin[terpenoid], 5P6UA2GF78, CHEMBL487804, SCHEMBL21065400, CHEBI:170125, DTXSID401044417, HY-N9271, BDBM50458916, AKOS040761803, CS-0159145, Q15634172, 1,3-Benzenediol, 5-methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-, 5-Methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-1,3-benzenediol #, 1,3-BENZENEDIOL, 5-METHYL-2-((2E,6E)-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-YL)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Isolated from the edible maitake mushroom (Grifola confluens). Grifolin is found in mushrooms. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031, P05067 |
| Iupac Name | 5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Target Id | NPT178, NPT78 |
| Xlogp | 7.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C22H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PZHNKNRPGLTZPO-VZRGJMDUSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.079 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Logd | 5.039 |
| Synonyms | 2-Farnesyl-5-methylresorcinol, 5-Methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, 9CI, Ammonium, hexadecyltrimethyl-, pentachlorophenol, Ammonium, hexadecyltrimethyl-, pentachlorophenoxide, Ammonium, hexadecyltrimethyl-, pentachlorophenoxide (8CI), E,E,5-Methyl-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, Hexadecyltrimethylammonium pentachlorophenol, Hexadecyltrimethylammonium pentachlorophenoxide (6CI,7CI), Trimethylcetylammonium pentachlorophenate, Trimethylcetylammonium pentachlorophenate (jan), Trimethylcetylammonium pentachlorophenate [jan], 3,8,12-Trimethyl-5,7,11-tridecatriene-3,4-diol, 5-Methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, 9ci, Ammonium, hexadecyltrimethyl-, pentachlorophenoxide (8ci), e,e,5-Methyl-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol, Hexadecyltrimethylammonium pentachlorophenoxide (6ci,7ci), Grifolin |
| Compound Name | Grifolin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 328.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.082275199999999 |
| Inchi | InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-21(23)14-19(5)15-22(20)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ |
| Smiles | CC1=CC(=C(C(=C1)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Alcea Rosea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Araiostegiella Perdurans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Balanops Australiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Eucalyptus Jenseni (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Euonymus Tingens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Euphorbia Cornigera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Euphorbia Prostrata (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Hylocomium Splendens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Kokoona Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Lilium Lancifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Maesa Ramentacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Millettia Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Monodora Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Ocimum Tenuiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Pinus Strobus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Pinus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Pluchea Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Salacia Lehmbachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Salvia Yosgadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Sideritis Brevibracteata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Sideroxylon Cubense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Viguiera Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all