Eugenitin
PubChem CID: 3083581
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| Compound Synonyms | Eugenitin, 480-12-6, 5-hydroxy-7-methoxy-2,6-dimethylchromen-4-one, 5-hydroxy-7-methoxy-2,6-dimethyl-4H-chromen-4-one, CHEBI:67491, 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2,6-dimethyl-, Eugenetin, EUGENITIN(RG), MLS004257385, CHEMBL3104955, DTXSID30197376, HY-W663230, SMR003082516, CS-0746885, D85078, Q5408353, 5-hydroxy-7-methoxy-2,6-dimethyl-4h -1-benzopyran-4-one, 5-Hydroxy-7-methoxy-2,6-dimethyl-4H-1-Benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | From Eugenia caryophyllata (clove). Eugenitin is found in herbs and spices and cloves. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-7-methoxy-2,6-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Xlogp | 2.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Molecular Formula | C12H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGTSAUBIQAKKLC-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.563 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 1.906 |
| Synonyms | 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2,6-dimethyl-, 5-Hydroxy-7-methoxy-2,6-dimethyl-4H-1-benzopyran-4-one, Eugenitin |
| Substituent Name | Chromone, Methoxyphenol, Nitrotoluene, O-cresol, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | Eugenitin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 220.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.6476887999999996 |
| Inchi | InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3 |
| Smiles | CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Chromones |
- 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 Coriaria Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Damnacanthus Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Eugenia Caryopyhllata (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Piper Attenuatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Rubus Sanctus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Stauntonia Hexaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Strychnos Triplinervia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Tellima Grandifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all