5-(8-Pentadecenyl)-1,3-benzenediol
PubChem CID: 6916254
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| Compound Synonyms | 5-(8-Pentadecenyl)-1,3-benzenediol, Cardolmonoene, 5-[(E)-pentadec-8-enyl]benzene-1,3-diol, CHEMBL221899, SCHEMBL9472976, 5-[(8E)-pentadec-8-en-1-yl]benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from Ginkgo biloba (ginkgo) fruits. 5-(8-Pentadecenyl)-1,3-benzenediol is found in cashew nut, ginkgo nuts, and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-pentadec-8-enyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 8.1 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C21H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUGAUFMQYWZJAB-BQYQJAHWSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -3.263 |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Logd | 4.885 |
| Synonyms | 5-(8-Pentadecenyl)-1,3-benzenediol, 5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol, 5-[(8Z)-pentadec-8-enyl]resorcinol, Bilobol, Cardolmonoene, Trifurcatol A2, 5-[(8Z)-Pentadec-8-en-1-yl]benzene-1,3-diol, 5-[(8Z)-Pentadec-8-enyl]resorcinol, Trifurcatol a2 |
| Substituent Name | Resorcinol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | 5-(8-Pentadecenyl)-1,3-benzenediol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 318.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.2653496782608675 |
| Inchi | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+ |
| Smiles | CCCCCC/C=C/CCCCCCCC1=CC(=CC(=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Resorcinols |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ardisia Colorata (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ardisia Paniculata (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Schinus Terebinthifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Schinus Terebinthifolius (Plant) Rel Props:Source_db:npass_chem_all