(3R)-7,4 inverted exclamation mark-Dihydrohomoisoflavanone
PubChem CID: 26088034
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| Compound Synonyms | (3R)-7,4 inverted exclamation mark -Dihydrohomoisoflavanone, CHEMBL1080977, HY-N8186, (3R)-7,4??-Dihydrohomoisoflavanone, AKOS040761235, (3R)-7,4'-DIHYDROHOMOISOFLAVANONE, CS-0140278, E88689, (3R)-2,3-Dihydro-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3R)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKCLNMWDNUQXPP-LLVKDONJSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.824 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.709 |
| Compound Name | (3R)-7,4 inverted exclamation mark-Dihydrohomoisoflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5035607999999994 |
| Inchi | InChI=1S/C16H14O4/c17-12-3-1-10(2-4-12)7-11-9-20-15-8-13(18)5-6-14(15)16(11)19/h1-6,8,11,17-18H,7,9H2/t11-/m1/s1 |
| Smiles | C1[C@H](C(=O)C2=C(O1)C=C(C=C2)O)CC3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all