Dodecanoylphloroglucinol
PubChem CID: 11771258
Connections displayed (default: 10).
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| Compound Synonyms | Dodecanoylphloroglucinol, 1-(2,4,6-trihydroxyphenyl)dodecan-1-one, 6790-21-2, DTXSID80472261, Dodecanoylphloroglucin, 1-Dodecanone, 1-(2,4,6-trihydroxyphenyl)-, CHEMBL2204424, SCHEMBL14831864, DTXCID20423075, C18H28O4 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4,6-trihydroxyphenyl)dodecan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C18H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIJGEBXETKIQOK-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.353 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.351 |
| Compound Name | Dodecanoylphloroglucinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.165509781818182 |
| Inchi | InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-9-10-11-15(20)18-16(21)12-14(19)13-17(18)22/h12-13,19,21-22H,2-11H2,1H3 |
| Smiles | CCCCCCCCCCCC(=O)C1=C(C=C(C=C1O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidoscolus Texanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Diospyros Montana (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Flaveria Bidentis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hymenaea Oblongifolia (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ptelea Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Sansevieria Ehrenbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Teucrium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Trichilia Dregeana (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Uvaria Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Veronica Anagallis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Veronica Anagallis-Aquatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all