Cardanol
PubChem CID: 11266523
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| Compound Synonyms | Cardanol, Cardanol triene, 79353-39-2, 3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol, 37330-39-5, 3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol, 9H1349HESU, CHEMBL470680, 5-{8(Z),11(Z),14-Pentadecatrienyl}Phenol, 3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]phenol, 3-((8Z,11Z)-pentadeca-8,11,14-trienyl)phenol, 3-(8Z,11Z)-8,11,14-pentadecatrien-1-yl-phenol, 3-(8Z,11Z)-8,11,14-Pentadecatrien-1-ylphenol, Phenol, 3-(8,11,14-pentadecatrienyl)-, (Z,Z)-, Phenol, 3-(8Z,11Z)-8,11,14-pentadecatrienyl-, 5-(8(Z),11(Z),14-Pentadecatrienyl)Phenol, STABILCARDO, CARDANOL-, 4TB1UYZ2LN, CARDOLITE NC-700, UNII-9H1349HESU, SCHEMBL2290369, LITE 2013, DTXSID00872880, DTXSID50872870, CHEBI:186661, EJ-C 513, BDBM50292426, LMPK15010002, NC-700, AKOS040755901, FC30970, GX-2512, NX-2021, HY-127140, CS-0093532, (8Z,11Z)-3-(8,11,14-pentadecatrienyl)phenol, Q27896120, PHENOL, 3-(8Z,11Z)-8,11,14-PENTADECATRIEN-1-YL-, 609-405-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | C=CC/C=CC/C=CCCCCCCCcccccc6)O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-4-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08170 |
| Iupac Name | 3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 7.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H30O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOLVYUIAMRUBRK-UTOQUPLUSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.218 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.395 |
| Synonyms | cardanol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, C=CC, cO |
| Compound Name | Cardanol |
| 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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| 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 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:cmaup_ingredients;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 Buchanania Cochinchinensis (Plant) Rel Props:Reference:ISBN:9788171360536 - 4. Outgoing r'ship
FOUND_INto/from Clibadium Mexiae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Discaria Serratifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Justicia Hayatai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Schinus Terebinthifolia (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Schinus Terebinthifolius (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all