3,7-Dihydroxy-5,3',4'-trimethoxyflavone
PubChem CID: 14234929
Connections displayed (default: 10).
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| Compound Synonyms | 3,7-Dihydroxy-5,3',4'-trimethoxyflavone, CHEMBL2043333, LMPK12112550, 3306-16-9 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q28731 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVPXWOZUJXXSRX-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.819 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.574 |
| Compound Name | 3,7-Dihydroxy-5,3',4'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4506778000000002 |
| Inchi | InChI=1S/C18H16O7/c1-22-11-5-4-9(6-12(11)23-2)18-17(21)16(20)15-13(24-3)7-10(19)8-14(15)25-18/h4-8,19,21H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Australis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Andromeda Polifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Argyrochosma Pilifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Genista Lydia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Gymnopetalum Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pteris Bella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Scapania Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Trichilia Heudelotii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Vincetoxicum Forrestii (Plant) Rel Props:Source_db:npass_chem_all