2-Methyl-6-geranylgeranyl-1,4-benzoquinol
PubChem CID: 14759579
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-methyl-6-geranylgeranyl-1,4-benzoquinol, MGGBQ, 6-geranylgeranyl-2-methylbenzene-1,4-diol, SCHEMBL4614966, SCHEMBL4807578, CHEBI:75411, DTXSID501119085, 57576-81-5, C20737, Q27145289, 2-Methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,4-benzenediol, 2-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,4-diol, 2-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 590.0 |
| 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]benzene-1,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | 9.1 |
| Molecular Formula | C27H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOWCCBNJUZOLRJ-MLAGYPMBSA-N |
| Fcsp3 | 0.4814814814814814 |
| Logs | -4.12 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.42 |
| Compound Name | 2-Methyl-6-geranylgeranyl-1,4-benzoquinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 396.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -7.440216448275863 |
| Inchi | InChI=1S/C27H40O2/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/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ |
| Smiles | CC1=CC(=CC(=C1O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O |
| 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