Garcinol
3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
| Molecular Formula | C38H50O6 |
|---|---|
| Molecular Weight | 602.8 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 112.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 602.3607 |
| Heavy Atoms | 44 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 78824-30-3 |
|---|---|
| SMILES | CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C |
| InChIKey | DTTONLKLWRTCAB-UHFFFAOYSA-N |
📖 Product Overview
Garcinol (CAS: 78824-30-3) is a chemical compound with molecular formula C38H50O6 and molecular weight 602.8 g/mol. Its IUPAC systematic name is 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione.
DTTONLKLWRTCAB-UHFFFAOYSA-N.
SMILES: CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C.
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