|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
44
Total Number of Articles : 19
|
| PubChem |
10337211
|
| Molecular Formula |
C21H22O4 |
| SMILES |
CC(=CCC1=CC2=C(C=C1OC)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C |
| InChI |
InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1 |
| synonyms |
- Bavachinin
- 19879-30-2
- Bavachinin A
- 7-O-Methylbavachin
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-, (2S)-
- VL3EV483SZ
- UNII-VL3EV483SZ
- BRN 3629340
- 4'-Hydroxy-7-methoxy-6-(3-methyl-2-butenyl)flavanone
- 5-18-04-00132 (Beilstein Handbook Reference)
- (2S)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-4H-1-BENZOPYRAN-4-ONE
- Flavanone, 4'-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (S)-
- (S)-2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)chroman-4-one
- (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
- MFCD06858307
- Bavachinin (Standard)
- SCHEMBL4220751
- CHEMBL1551302
- HY-N0234R
- CHEBI:184255
- EX-A3649
- HY-N0234
- BDBM50084040
- s3878
- AKOS032962310
- Bavachinin, >=95% (LC/MS-ELSD)
- CCG-208380
- CS-3751
- FB74197
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|
| Properties |
| Property |
Value |
| MW |
338.4 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
4 |
| Exact Mass |
338.15180918 g/mol |
| Monoisotopic Mass |
338.15180918 g/mol |
| Heavy Atom Count |
25 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
488 |
| xlogp |
4.4 |
| Topological Polar Surface Area |
55.8 |
|