Grevillol
PubChem CID: 174862
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| Compound Synonyms | Grevillol, 5-Tridecylresorcinol, 5-tridecylbenzene-1,3-diol, 5259-01-8, 5-tridecyl resorcinol, 5-Tridecyl-1,2-benzenediol, 1,3-Benzenediol, 5-tridecyl-, CHEBI:5545, CHEMBL451044, DTXSID60200564, AC1L5BP0, Trifurcatol A1, Bilobol C13:0, 5-n-tridecylresorcinol, Resorcinol, 5-tridecyl-, SCHEMBL2468227, DTXCID90123055, UXOGOSLLGMYCNL-UHFFFAOYSA-N, BDBM50259933, LMPK15030011, AKOS040734792, 5-Tridecylresorcinol, analytical standard, Q27106804 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCCCCCCCCCCcccO)ccc6)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzenediols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08487, P05979, P35354, P09917 |
| Iupac Name | 5-tridecylbenzene-1,3-diol |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 8.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H32O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UXOGOSLLGMYCNL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | grevillol |
| Esol Class | Poorly soluble |
| Functional Groups | cO |
| Compound Name | Grevillol |
| Exact Mass | 292.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 292.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3 |
| Smiles | CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Reference:ISBN:9788172360481