(2S)-7,4'-Dihydroxy-8-geranylflavanone
PubChem CID: 42607813
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| Compound Synonyms | Prostratol F, (2S)-7,4'-Dihydroxy-8-geranylflavanone, CHEBI:85127, (2S)-8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, (2S)-8-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, (2S)-8-((2E)-3,7-dimethylocta-2,6-dienyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, (2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, CHEMBL4475284, IJCCBLTVMMYSFZ-WAKDBBHESA-N, LMPK12140046, Q27158344, 162382-66-3 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 610.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJCCBLTVMMYSFZ-WAKDBBHESA-N |
| Fcsp3 | 0.32 |
| Logs | -2.95 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.363 |
| Compound Name | (2S)-7,4'-Dihydroxy-8-geranylflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.951075896551725 |
| Inchi | InChI=1S/C25H28O4/c1-16(2)5-4-6-17(3)7-12-20-22(27)14-13-21-23(28)15-24(29-25(20)21)18-8-10-19(26)11-9-18/h5,7-11,13-14,24,26-27H,4,6,12,15H2,1-3H3/b17-7+/t24-/m0/s1 |
| Smiles | CC(=CCC/C(=C/CC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients