2-(Geranylgeranyl)-6-methyl-1,4-benzoquinone
PubChem CID: 5374398
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(Geranylgeranyl)-6-methyl-1,4-benzoquinone, SCHEMBL3433942, SCHEMBL3499048, YDMWRMAVZBIYIS-MLAGYPMBSA-N, C27H38O2, 2-Methyl-6-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-2,5-cyclohexadiene-1,4-dione, 2-Methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]benzo-1,4-quinone # |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 775.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C27H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDMWRMAVZBIYIS-MLAGYPMBSA-N |
| Fcsp3 | 0.4814814814814814 |
| Logs | -4.409 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.345 |
| Compound Name | 2-(Geranylgeranyl)-6-methyl-1,4-benzoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 394.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -6.543813800000001 |
| Inchi | InChI=1S/C27H38O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h10,12,14,16,18-19H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ |
| Smiles | CC1=CC(=O)C=C(C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catunaregam Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Turkestanorum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients