Acetogenins
4-[2-hydroxy-6-[5-(1,4,5-trihydroxyundecyl)oxolan-2-yl]hexyl]-2-methyl-2H-furan-5-one
Molecular Identity
Acetogenins
4-[2-hydroxy-6-[5-(1,4,5-trihydroxyundecyl)oxolan-2-yl]hexyl]-2-methyl-2H-furan-5-one
PubChem CID: 393472
2D Structure
Properties
C26H46O7
Molecular Formula
470.60
Molecular Weight
g/mol
470.3244
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
593
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCC(C(CCC(C1CCC(O1)CCCCC(CC2=CC(OC2=O)C)O)O)O)OIsomeric SMILES
SMILES: CCCCCCC(C(CCC(C1CCC(O1)CCCCC(CC2=CC(OC2=O)C)O)O)O)OSynonyms(11)
ACETOGENINSAcetogenin CompoundsAnnonaceous AcetogeninsAcetogenins, AnnonaceousRefChem:1089904-[2-hydroxy-6-[5-(1,4,5-trihydroxyundecyl)oxolan-2-yl]hexyl]-2-methyl-2H-furan-5-oneMuricatetrocin BNSC695405CHEMBL381502NSC-695405NCI60_034160
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Acetogenins
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