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Untitled Document
Untitled Document
Untitled Document
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GARCINOL
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| Chemical Formula |
: C38-H50-O6 |
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| IUPAC Name |
: (1R,3E,5S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione |
| CAS Registry Number / CID |
: cid-5490884 |
| SMILES Notation |
: 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 |
| Molecular weight |
: 602.8 [g/mol] |
| x log P |
: 8.2 |
| H Bond Donor |
: 6 |
| H Bond Acceptor |
: 3 |
Molecular Structure |
| Rotatable bond count |
: 10 |
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Biological Activities |
Drug likeness / ADMET
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Constituents
(Alphabetical order) |
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