7-Methoxychamanetin
PubChem CID: 56682299
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| Compound Synonyms | 7-Methoxychamanetin, CHEBI:69680, (2S)-5-hydroxy-8-((2-hydroxyphenyl)methyl)-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one, (2S)-5-hydroxy-8-[(2-hydroxyphenyl)methyl]-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one, CHEMBL1835967, Q27138021 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-hydroxy-8-[(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 | YPZIHZGUQNBTAR-FQEVSTJZSA-N |
| Fcsp3 | 0.1739130434782608 |
| Logs | -4.203 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.644 |
| Compound Name | 7-Methoxychamanetin |
| 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/c1-27-21-13-19(26)22-18(25)12-20(14-7-3-2-4-8-14)28-23(22)16(21)11-15-9-5-6-10-17(15)24/h2-10,13,20,24,26H,11-12H2,1H3/t20-/m0/s1 |
| Smiles | COC1=C(C2=C(C(=O)C[C@H](O2)C3=CC=CC=C3)C(=C1)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;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all