1-(2,6-Dihydroxyphenyl)dodecan-1-one
PubChem CID: 365016
Connections displayed (default: 10).
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| Compound Synonyms | 1-(2,6-dihydroxyphenyl)dodecan-1-one, 1-(2,6-Dihydroxyphenyl)-1-dodecanone, NSC631951, MLS001048914, SMR000387105, 2-dodecanoylresorcinol, cid_365016, CHEMBL1528835, SCHEMBL14452070, BDBM57937, Phen-1,3-diol, 2-dodecanoyl-, WPFIJMIBEGNIHW-UHFFFAOYSA-N, HMS2270B19, STL560680, AKOS032435131, NSC-631951, NCI60_010526, 1-(2,6-Dihydroxyphenyl)-1-dodecanone #, 1-[2,6-bis(oxidanyl)phenyl]dodecan-1-one |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P42858, P10636, P00352, P02791, Q03164, Q13315, P10520, P38532, P83916, P39748, P08659, O75496, Q99700, P43220, P63092, Q9NUW8, Q13148, P37840, O95398, Q03431 |
| Iupac Name | 1-(2,6-dihydroxyphenyl)dodecan-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1197, NPT51, NPT94, NPT524 |
| Xlogp | 6.6 |
| Molecular Formula | C18H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WPFIJMIBEGNIHW-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.726 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.42 |
| Compound Name | 1-(2,6-Dihydroxyphenyl)dodecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.302726371428571 |
| Inchi | InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15(19)18-16(20)13-11-14-17(18)21/h11,13-14,20-21H,2-10,12H2,1H3 |
| Smiles | CCCCCCCCCCCC(=O)C1=C(C=CC=C1O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidoscolus Texanus (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Diospyros Montana (Plant) Rel Props:Source_db:cmaup_ingredients;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:cmaup_ingredients;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:cmaup_ingredients;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