| Phytochemical Name : Alliin |
| PCNDIDA0055 |
| Pubchem CID : 87310 |
| Molecular formula: C6H11NO3S |
| Canonical SMILES : C=CCS(=O)CC(C(=O)O)N |
Synonymes : Alliin|556-27-4|17795-26-5|3-(Allylsulphinyl)-L-alanine|3-(allylsulfinyl)-l-alanin|L(+/-)-ALLIIN|(+/-)-L-Alliin|(2R)-3-(Allylsulfinyl)-2-aminopropanoic acid|(R)-3-((S)-Allylsulfinyl)-2-aminopropanoic acid|S-Allyl-L-cysteine sulfoxide|EINECS 241-773-6|( inverted exclamation markA)-Alliin|(2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid|L-Alliin|3-[(S)-2-propenylsulfinyl]-L-alanine|( )-L-Alliin|(+/-)-Alliin|ACSO|S-Allyl-L-cystein-S-oxid|(2R)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid|S-Allyl-L-cysteine-( )-sulfoxide|L(+)Alliin|[S(S)]-S-2-Propen-1-yl-L-cysteine S-oxide|(2R)-3-allylsulfinyl-2-amino-propanoic acid|S-Allyl-L-cysteine S-oxide|S-allyl-l-cysteine sulphoxide|SCHEMBL118140|SPECTRUM1505190|CHEMBL464166|CHEBI:182413|DTXSID601309766|AKOS015854117|AKOS015897545|CCG-214373|(+/-)-L-Alliin, >=90% (HPLC)|HY-126085|CS-0090416|FT-0653863|(2R)-3-(Allylsulfinyl)-2-aminopropanoicacid|C08265|(2R)-2-amino-3-prop-2-enylsulinylpropanoic acid|SR-05000002411|J-011338|Q-100640|SR-05000002411-1 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.550 |
| Log Po/w (XLOGP3) : -3.530 |
| Log Po/w (WLOGP) : 0.200 |
| Log Po/w (MLOGP) : -2.880 |
| Log Po/w (SILICOS-IT) : -1.000 |
| Consensus Log Po/w : -1.330 |