Molecular Identity
Allicin
3-prop-2-enylsulfinylsulfanylprop-1-ene
PubChem CID: 65036
Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent.
2D Structure
Properties
C6H10OS2
Molecular Formula
162.30
Molecular Weight
g/mol
162.0173
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
61.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
120
Complexity
SMILES
Canonical SMILES
SMILES: C=CCSS(=O)CC=CIsomeric SMILES
SMILES: C=CCSS(=O)CC=CSynonyms(20)
Allicin539-86-6Diallyl thiosulfinateThio-2-propene-1-sulfinic acid S-allyl esterAllylthiosulphinic acid allyl ester3-prop-2-enylsulfinylsulfanylprop-1-ene2-Propene-1-sulfinothioic acid S-2-propenyl esterDTXSID60437073C39BY17Y6CHEBI:284113-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene3-((prop-2-ene-1-sulfinyl)sulfanyl)prop-1-eneRefChem:5523DTXCID4023707208-727-7
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Allicin
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