Cardanol diene
PubChem CID: 11098630
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cardanol diene, R5UNJ6B02F, CHEMBL470887, 3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol, 3-8Z,11Z-pentadecadien-1-yl-phenol, 51546-63-5, 3-(8(Z),11(Z)-Pentadecadienyl)phenol, 5-{8(Z),11(Z)-Pentadecadienyl}Phenol, 3-((8Z,11Z)-pentadeca-8,11-dienyl)phenol, 3-[(8Z,11Z)-pentadeca-8,11-dienyl]phenol, 3-[(8Z,11Z)-Pentadeca-8,11-dien-1-yl]phenol, UNII-R5UNJ6B02F, SCHEMBL2293234, DTXSID90872879, FAYVLNWNMNHXGA-UTOQUPLUSA-N, BDBM50292427, LMPK15010009, HY-121374, CS-0081821, Phenol, 3-(8,11-pentadecadienyl)-, (Z,Z)-, 3-(8Z,11Z)-8,11-PENTADECADIEN-1-YLPHENOL, Q27896124, PHENOL, 3-(8Z,11Z)-8,11-PENTADECADIEN-1-YL- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08170 |
| Iupac Name | 3-[(8Z,11Z)-pentadeca-8,11-dienyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 7.8 |
| Molecular Formula | C21H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAYVLNWNMNHXGA-UTOQUPLUSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -3.116 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.687 |
| Compound Name | Cardanol diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 300.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.674031381818182 |
| Inchi | InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h4-5,7-8,15,17-19,22H,2-3,6,9-14,16H2,1H3/b5-4-,8-7- |
| Smiles | CCC/C=C\C/C=C\CCCCCCCC1=CC(=CC=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aronia Arbutifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clibadium Mexiae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Discaria Serratifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Justicia Hayatai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all