3-(8,11,14-Pentadecatrienyl)phenol
PubChem CID: 5356112
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| Compound Synonyms | 3-(8,11,14-Pentadecatrienyl)phenol, 3-[(8E,11E)-pentadeca-8,11,14-trienyl]phenol, CHEBI:171704, 3-(pentadeca-8,11,14-trienyl) phenol, 3-(8z,11z)-8,11,14-Pentadecatrienyl-Phenol, 3-(PENTADECA-8,11,14-TRIEN-1-YL)PHENOL, 3-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]phenol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of lipids of Anacardium occidentale (cashew nut). 3-(8,11,14-Pentadecatrienyl)phenol is found in nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(8E,11E)-pentadeca-8,11,14-trienyl]phenol |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Xlogp | 7.6 |
| Superclass | Benzenoids |
| Subclass | 1-hydroxy-4-unsubstituted benzenoids |
| Molecular Formula | C21H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOLVYUIAMRUBRK-AOSYACOCSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -4.315 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.714 |
| Synonyms | 3-(8,11,14-Pentadecatrienyl)phenol, 3-(8Z,11Z)-8,11,14-Pentadecatrienyl-phenol, Phenol, 3-(8z,11z)-8,11,14-pentadecatrienyl-, Cardanol |
| Compound Name | 3-(8,11,14-Pentadecatrienyl)phenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 298.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -5.4914321818181815 |
| Inchi | InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4+,8-7+ |
| Smiles | C=CC/C=C/C/C=C/CCCCCCCC1=CC(=CC=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all