7-Methoxyisochamanetin
PubChem CID: 70698153
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-Methoxyisochamanetin, CHEBI:69689, Q27138031 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-hydroxy-6-[(2-hydroxyphenyl)methyl]-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C23H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTWWMDVPBXRLBM-IBGZPJMESA-N |
| Fcsp3 | 0.1739130434782608 |
| Logs | -4.495 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.469 |
| Compound Name | 7-Methoxyisochamanetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.308643885714287 |
| Inchi | InChI=1S/C23H20O5/c1-27-20-13-21-22(18(25)12-19(28-21)14-7-3-2-4-8-14)23(26)16(20)11-15-9-5-6-10-17(15)24/h2-10,13,19,24,26H,11-12H2,1H3/t19-/m0/s1 |
| Smiles | COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O)CC4=CC=CC=C4O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthosyris Paulo-Alvinii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients