Euchrenone a16
PubChem CID: 636551
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Euchrenone a16, 5,7-Dihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone, (2S)-5,7-Dihydroxy-8-(gamma,gamma-dimethylallyl)-[6''',6'''-dimethyl-4''',5'''-dihydropyrano-(2''',3''':4',3')]-flavanone, [2,6'-bi-2H-1-benzopyran]-4(3H)-one, 3',4'-dihydro-5,7-dihydroxy-2',2'-dimethyl-8-(3-methyl-2-butenyl)-, (2S)-, 5,7-Dihydroxy-2',2'-dimethyl-8-(3-methyl-but-2-enyl)-2,3,3',4'-tetrahydro-2'H-[2,6']bichromenyl-4-one, 5,7-dihydroxy-2',2'-dimethyl-8-(3-methylbut-2-en-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one, 5,7-Dihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano(2'',3'':4',3')flavanone, (2,6'-bi-2H-1-benzopyran)-4(3H)-one, 3',4'-dihydro-5,7-dihydroxy-2',2'-dimethyl-8-(3-methyl-2-butenyl)-, (2S)-, (2S)-5,7-Dihydroxy-8-(gamma,gamma-dimethylallyl)-(6''',6'''-dimethyl-4''',5'''-dihydropyrano-(2''',3''':4',3'))-flavanone, 5,7-Dihydroxy-2',2'-dimethyl-8-(3-methyl-but-2-enyl)-2,3,3',4'-tetrahydro-2'H-(2,6')bichromenyl-4-one, LMPK12140319, (2S)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 474326-33-5 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 666.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C25H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UUJGHXKKHDPLPR-QFIPXVFZSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.41 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.261 |
| Compound Name | Euchrenone a16 |
| 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 | -6.030162800000001 |
| Inchi | InChI=1S/C25H28O5/c1-14(2)5-7-17-18(26)12-19(27)23-20(28)13-22(29-24(17)23)15-6-8-21-16(11-15)9-10-25(3,4)30-21/h5-6,8,11-12,22,26-27H,7,9-10,13H2,1-4H3/t22-/m0/s1 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC4=C(C=C3)OC(CC4)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euchresta Formosana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients