6,4'-Dihydroxy-7-methoxyflavanone
PubChem CID: 25181514
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| Compound Synonyms | 6,4'-Dihydroxy-7-methoxyflavanone, 189689-32-5, (2S)-6-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one, CHEMBL2397754, HY-N9736, AKOS040761190, DA-70273, CS-0203722 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S)-6-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQZKTABHCQFBQV-AWEZNQCLSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.253 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.557 |
| Compound Name | 6,4'-Dihydroxy-7-methoxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.335911742857143 |
| Inchi | InChI=1S/C16H14O5/c1-20-16-8-15-11(6-13(16)19)12(18)7-14(21-15)9-2-4-10(17)5-3-9/h2-6,8,14,17,19H,7H2,1H3/t14-/m0/s1 |
| Smiles | COC1=C(C=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all