(3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone
PubChem CID: 5319494
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| Compound Synonyms | (3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Is Pains | False |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZBMBIHZXUQFOR-MRXNPFEDSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (3R)-4'-Methoxy-2',3,7-trihydroxyisoflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9748847636363633 |
| Inchi | InChI=1S/C16H14O6/c1-21-10-3-5-12(13(18)7-10)16(20)8-22-14-6-9(17)2-4-11(14)15(16)19/h2-7,17-18,20H,8H2,1H3/t16-/m1/s1 |
| Smiles | COC1=CC(=C(C=C1)[C@@]2(COC3=C(C2=O)C=CC(=C3)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients