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Untitled Document
Untitled Document
Untitled Document
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ISOGARCINOL
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Chemical Formula |
: C38H52O5 |
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IUPAC Name |
: (3S,4aS,6R,8R)-10-[(3,4-dihydroxyphenyl)carbonyl]-2,2,7,7-tetrame? thyl-3,6,8-tris(3-methylbut-2-en-1-yl)-3,4,5,6,7,8-hexahydro-2H,9? H-4a,8-methanocycloocta[b]pyran-9,11-dione |
CAS Registry Number / CID |
: 44580828 |
SMILES Notation |
: CC(=CCC1CC23CC(C(OC2=C(C(=O)C(C3)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)
O)(C)C)CC=C(C)C)C |
Molecular weight |
: 588.81648 [g/mol] |
x log P |
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H Bond Donor |
: 2 |
H Bond Acceptor |
: 5 |
Molecular Structure |
Rotatable bond count |
: 8 |
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Biological Activities |
Drug likeness / ADMET
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Constituents
(Alphabetical order) |
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