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Structure
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| Relationships |
Total Number of functionally related protein(s) :
83
Total Number of Articles : 58
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| PubChem |
114739
|
| Molecular Formula |
C18H18O4 |
| SMILES |
C1[C@H]([C@@H](C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O |
| InChI |
InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1 |
| synonyms |
- Enterolactone
- X01E7E1D6H
- CHEBI:81555
- 78473-71-9
- HPMF
- (+/-)-enterolactone
- (+)-ENTEROLACTONE
- UNII-X01E7E1D6H
- (3s,4s)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3h)-one
- CCRIS 3048
- 2,3-bis(3'-hydroxybenzyl)butyrolactone
- HBBL
- ENTEROLACTONE [MI]
- 3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone
- CHEMBL2391150
- COMPOUND 180/442
- Enterolactone, ~95% (HPLC)
- SCHEMBL11306724
- HMS3648C19
- 2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, (3R,4R)-rel-
- (+/-)-Enterolactone, analytical standard
- 185254-87-9
- trans-2,3-bis(3-hydroxybenzyl) butyrolactone
- C18165
- SR-01000946199
- SR-01000946199-1
- Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone
- TRANS-(+/-)-2,3-BIS(3'-HYDROXYBENZYL)-.GAMMA.-BUTYROLACTONE
- (3R,4R)-REL-DIHYDRO-3,4-BIS((3-HYDROXYPHENYL)METHYL)-2(3H)-FURANONE
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| Properties |
| Property |
Value |
| MW |
298.3 g/mol |
| HBD |
2 |
| HBA |
4 |
| Rotatable Bond Count |
4 |
| Exact Mass |
298.12050905 g/mol |
| Monoisotopic Mass |
298.12050905 g/mol |
| Heavy Atom Count |
22 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
383 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
66.8 |
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