Demethoxymatteucinol
PubChem CID: 180550
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| Compound Synonyms | Demethoxymatteucinol, 6,8-dimethylpinocembrin, 56297-79-1, (-)-Demethoxymatteucinol, CHEBI:70664, (2S)-5,7-Dihydroxy-6,8-dimethylflavanone, (2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6,8-dimethyl-2-phenyl-, (2S)-, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6,8-dimethyl-2-phenyl-, (S)-, (2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one, desmethoxy-matteucinol, (2S)-2,3-dihydro-5,7-dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one, MLS002473099, CHEMBL53439, DTXSID10971737, HAIHGFWQOPJMPV-ZDUSSCGKSA-N, HMS2213L09, BDBM50278269, AKOS040763206, NCGC00247485-01, SMR001397201, CS-0139018, Q27138996, (S)-5,7-Dihydroxy-6,8-dimethyl-2-phenylchroman-4-one, (2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-chroman-4-one, 5,7-Dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one, 5,7-Dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., B4URF0, P83916, Q9UNA4, Q99700, Q9NUW8, Q03431, P03468 |
| Iupac Name | (2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAIHGFWQOPJMPV-ZDUSSCGKSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.765 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.646 |
| Compound Name | Demethoxymatteucinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.145685342857143 |
| Inchi | InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1 |
| Smiles | CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=CC=C3)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Deltoideodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Centaurea Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Garcinia Livingstonei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hyptis Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Leitneria Floridana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Notholaena Aschenborniana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Onosma Hispida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Psorothamnus Polydenius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Syzygium Samarangense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Thermopsis Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all