Vogelin F
PubChem CID: 11143123
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| Compound Synonyms | VOGELIN F, 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one, 5,7-dihydroxy-3-(4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl)chromen-4-one, CHEMBL461270, 410532-97-7 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 608.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Is Pains | False |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXSJLKKSBFSNIH-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Vogelin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.673605518518519 |
| Inchi | InChI=1S/C21H20O6/c1-11(2)4-5-12-6-14(18(26-3)9-16(12)23)15-10-27-19-8-13(22)7-17(24)20(19)21(15)25/h4,6-10,22-24H,5H2,1-3H3 |
| Smiles | CC(=CCC1=CC(=C(C=C1O)OC)C2=COC3=CC(=CC(=C3C2=O)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anthotroche Myoporoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Astragalus Flexus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erythrina Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Helenium Virginicum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Heliotropium Digynum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Hypericum Caprifoliatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Nannoglottis Ravida (Plant) Rel Props:Source_db:cmaup_ingredients