leachianone G(1-)
PubChem CID: 25201713
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| Compound Synonyms | leachianone G(1-), 2'-hydroxy-8-dimethylallylnaringenin, leachianone G anion, CHEBI:58813, Q27126163, (2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-en-1-yl)-4-oxochroman-7-olate, (2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate, (2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H19O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBOYLFNGTSLAAZ-SFHVURJKSA-M |
| Fcsp3 | 0.25 |
| Logs | -3.6 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.186 |
| Compound Name | leachianone G(1-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 355.118 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 355.118 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 355.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.681607661538462 |
| Inchi | InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h3-4,6-8,18,21-24H,5,9H2,1-2H3/p-1/t18-/m0/s1 |
| Smiles | CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=C(C=C(C=C3)O)O)O)[O-])C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients