Structure
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Relationships |
Total Number of functionally related protein(s) :
61
Total Number of Articles : 25
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PubChem |
10082188
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Molecular Formula |
C12H12O4 |
SMILES |
CC(=O)/C=C(/C=C/C1=CC(=C(C=C1)O)O)\O |
InChI |
InChI=1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6- |
synonyms |
- hispolon
- 173933-40-9
- HISPOLON(P)
- (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one
- (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxy-hexa-3,5-dien-2-one
- CHEMBL452722
- SCHEMBL15917284
- SCHEMBL20978310
- CHEBI:212795
- DTXSID701045719
- 98% (cis-trans isomeric mixture)
- EX-A4869
- AKOS015896251
- BH171710
- MS-23223
- HY-150521
- CS-0609327
- E88922
- Q15634151
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|
Properties |
Property |
Value |
MW |
220.22 g/mol |
HBD |
3 |
HBA |
4 |
Rotatable Bond Count |
3 |
Exact Mass |
220.07355886 g/mol |
Monoisotopic Mass |
220.07355886 g/mol |
Heavy Atom Count |
16 |
Isotope Atom Count |
0 |
Atom Stereo Count |
0 |
Covalent Unit Count |
1 |
Complexity |
306 |
xlogp |
2 |
Topological Polar Surface Area |
77.8 |
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