(-)-(2S)-5,7,2'-trihydroxy-8,3'-diprenylflavanone
PubChem CID: 51040899
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL1689202, CHEBI:68374, (-)-(2S)-5,7,2'-trihydroxy-8,3'-diprenylflavanone, DTXSID301104064, BDBM50339146, (2s)-5,7,2'-trihydroxy-8,3'-diprenylflavanone, Q27136871, (-)-(2S)-5,7,2''-trihydroxy-8,3''-diprenylflavanone, (2S)-2,3-Dihydro-5,7-dihydroxy-2-[2-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, (2S)-5,7-dihydroxy-2-[2-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one, 1263906-30-4 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 660.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O42713 |
| Iupac Name | (2S)-5,7-dihydroxy-2-[2-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C25H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SWLGFCRAFOKHQK-QFIPXVFZSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.025 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.986 |
| Compound Name | (-)-(2S)-5,7,2'-trihydroxy-8,3'-diprenylflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 408.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.269862800000001 |
| Inchi | InChI=1S/C25H28O5/c1-14(2)8-10-16-6-5-7-18(24(16)29)22-13-21(28)23-20(27)12-19(26)17(25(23)30-22)11-9-15(3)4/h5-9,12,22,26-27,29H,10-11,13H2,1-4H3/t22-/m0/s1 |
| Smiles | CC(=CCC1=C(C(=CC=C1)[C@@H]2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Grandiflorum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Blighia Sapida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Blighia Welwitschii (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cardiospermum Grandiflorum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dalea Elegans (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dalea Purpurea (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dalea Versicolor (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Doronicum Grandiflorum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Epimedium Grandiflorum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Flacourtia Sapida (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Grewia Sapida (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Guatteria Boliviana (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Jasminum Grandiflorum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Misopates Orontium (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Theobroma Speciosum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Veratrum Grandiflorum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Viburnum Grandiflorum (Plant) Rel Props:Reference: