Eugenitol
PubChem CID: 5036604
Connections displayed (default: 10).
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| Compound Synonyms | EUGENITOL, 491-48-5, 5,7-dihydroxy-2,6-dimethylchromen-4-one, 5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one, 5,7-dihydroxy-2,6-dimethylchromone, KBio2_001059, 5,7-dihydroxy-2,6-dimethyl-4H-chromen-4-one, Spectrum_000579, SpecPlus_000031, Spectrum2_000749, Spectrum3_000183, Spectrum4_001500, Spectrum5_000239, BSPBio_001705, KBioGR_002139, KBioSS_001059, DivK1c_006127, SPBio_000738, CHEMBL3039487, CHEBI:92806, KBio1_001071, KBio2_003627, KBio2_006195, KBio3_001205, DTXSID70407683, CCG-38991, HY-N11528, SDCCGMLS-0066844.P001, NCGC00179070-01, DA-60402, CS-0648997, 5,7-dihydroxy-2,6-dimethyl-1-benzopyran-4-one, BRD-K46068882-001-02-7, Q27164567 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NPD5, Q9Y6L6 |
| Iupac Name | 5,7-dihydroxy-2,6-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMAUJNAGOIPKDG-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.386 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.33 |
| Compound Name | Eugenitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.449654733333333 |
| Inchi | InChI=1S/C11H10O4/c1-5-3-8(13)10-9(15-5)4-7(12)6(2)11(10)14/h3-4,12,14H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Sajanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Jacutica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Avrainvillea Rawsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bersama Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cassia Jahnii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Damnacanthus Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Attenuatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Rubus Sanctus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Stauntonia Hexaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Strychnos Triplinervia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all